(2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene

C260H245N17O14S2 — CID 158065445

IUPAC(2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene
SMILESCC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)oc2c1.CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)sc2c1.CCN(CC)c1ccc2cc(-c3nc4c(C(C)(C)C)cc(C(C)(C)C)cc4s3)c(=O)oc2c1.CCn1c2ccccc2c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c7ccccc7n(CC)c6c5)cc4)cc3)cc21.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C.O=c1c2cc3[nH]c4c(ccc5ccccc54)c(=O)c3cc2[nH]c2c1ccc1ccccc12.O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)OC(C(C)(C)C)=C1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C44H36N2.C34H42N2O3.C34H42N2O2S.C30H35N3O.C28H34N2O2S.C28H16N2O2.C22H16N2O2.C20H12N2O2.C20H12/c1-3-45-41-11-7-5-9-37(41)39-27-21-33(29-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-40-38-10-6-8-12-42(38)46(4-2)44(40)30-34;1-31(2,3)20-17-22(32(4,5)6)26-24(18-20)38-29(35-26)21-15-19-16-23-27-25(28(19)39-30(21)37)34(9,10)12-14-36(27)13-11-33(23,7)8;1-31(2,3)20-17-22(32(4,5)6)26-24(18-20)39-29(35-26)21-15-19-16-23-27-25(28(19)38-30(21)37)34(9,10)12-14-36(27)13-11-33(23,7)8;1-28(2,3)26-18-21(25(19-31)32-8)17-22(34-26)10-9-20-15-23-27-24(16-20)30(6,7)12-14-33(27)13-11-29(23,4)5;1-9-30(10-2)19-12-11-17-13-20(26(31)32-22(17)16-19)25-29-24-21(28(6,7)8)14-18(27(3,4)5)15-23(24)33-25;31-27-19-11-9-15-5-1-3-7-17(15)25(19)29-23-13-22-24(14-21(23)27)30-26-18-8-4-2-6-16(18)10-12-20(26)28(22)32;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h5-30H,3-4H2,1-2H3;2*15-18H,11-14H2,1-10H3;9-10,15-18H,11-14H2,1-7H3;11-16H,9-10H2,1-8H3;1-14H,(H,29,31)(H,30,32);3-12H,1-2H3;1-10H,(H,21,23)(H,22,24);1-12H/b15-13+,16-14+;;;10-9+,25-21+;;;;;
InChIKeyFLDYLEPLWCXBLF-FEELYJKHSA-N
MW3896.06 g/mol
LogP63.16
Rot. Bonds15

About (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene

(2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene (PubChem CID 158065445) has the molecular formula C260H245N17O14S2 and a molecular weight of 3896.06 g/mol. Its IUPAC name is (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene.

Molecular Properties

Compound Name(2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene
PubChem CID158065445
Molecular FormulaC260H245N17O14S2
Molecular Weight3896.06 g/mol
Exact Mass3892.84
IUPAC Name(2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene
SMILESCC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)oc2c1.CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)sc2c1.CCN(CC)c1ccc2cc(-c3nc4c(C(C)(C)C)cc(C(C)(C)C)cc4s3)c(=O)oc2c1.CCn1c2ccccc2c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c7ccccc7n(CC)c6c5)cc4)cc3)cc21.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C.O=c1c2cc3[nH]c4c(ccc5ccccc54)c(=O)c3cc2[nH]c2c1ccc1ccccc12.O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)OC(C(C)(C)C)=C1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C44H36N2.C34H42N2O3.C34H42N2O2S.C30H35N3O.C28H34N2O2S.C28H16N2O2.C22H16N2O2.C20H12N2O2.C20H12/c1-3-45-41-11-7-5-9-37(41)39-27-21-33(29-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-40-38-10-6-8-12-42(38)46(4-2)44(40)30-34;1-31(2,3)20-17-22(32(4,5)6)26-24(18-20)38-29(35-26)21-15-19-16-23-27-25(28(19)39-30(21)37)34(9,10)12-14-36(27)13-11-33(23,7)8;1-31(2,3)20-17-22(32(4,5)6)26-24(18-20)39-29(35-26)21-15-19-16-23-27-25(28(19)38-30(21)37)34(9,10)12-14-36(27)13-11-33(23,7)8;1-28(2,3)26-18-21(25(19-31)32-8)17-22(34-26)10-9-20-15-23-27-24(16-20)30(6,7)12-14-33(27)13-11-29(23,4)5;1-9-30(10-2)19-12-11-17-13-20(26(31)32-22(17)16-19)25-29-24-21(28(6,7)8)14-18(27(3,4)5)15-23(24)33-25;31-27-19-11-9-15-5-1-3-7-17(15)25(19)29-23-13-22-24(14-21(23)27)30-26-18-8-4-2-6-16(18)10-12-20(26)28(22)32;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h5-30H,3-4H2,1-2H3;2*15-18H,11-14H2,1-10H3;9-10,15-18H,11-14H2,1-7H3;11-16H,9-10H2,1-8H3;1-14H,(H,29,31)(H,30,32);3-12H,1-2H3;1-10H,(H,21,23)(H,22,24);1-12H/b15-13+,16-14+;;;10-9+,25-21+;;;;;
InChIKeyFLDYLEPLWCXBLF-FEELYJKHSA-N
XLogP63.16
TPSA378.08 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms293
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003896.06
LogP ≤ 563.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene?
The IUPAC name of (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene (CID 158065445) is (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene.
What is the SMILES notation for (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene?
The canonical SMILES for (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene is CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)oc2c1.CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc4cc5c6c(c4oc3=O)C(C)(C)CCN6CCC5(C)C)sc2c1.CCN(CC)c1ccc2cc(-c3nc4c(C(C)(C)C)cc(C(C)(C)C)cc4s3)c(=O)oc2c1.CCn1c2ccccc2c2ccc(/C=C/c3ccc(-c4ccc(/C=C/c5ccc6c7ccccc7n(CC)c6c5)cc4)cc3)cc21.Cn1c2ccccc2c(=O)c2cc3c(cc21)c(=O)c1ccccc1n3C.O=c1c2cc3[nH]c4c(ccc5ccccc54)c(=O)c3cc2[nH]c2c1ccc1ccccc12.O=c1c2ccccc2[nH]c2cc3c(=O)c4ccccc4[nH]c3cc12.[C-]#[N+]/C(C#N)=C1\C=C(/C=C/c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)OC(C(C)(C)C)=C1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene?
The InChIKey is FLDYLEPLWCXBLF-FEELYJKHSA-N. The full InChI is InChI=1S/C44H36N2.C34H42N2O3.C34H42N2O2S.C30H35N3O.C28H34N2O2S.C28H16N2O2.C22H16N2O2.C20H12N2O2.C20H12/c1-3-45-41-11-7-5-9-37(41)39-27-21-33(29-43(39)45)15-13-31-17-23-35(24-18-31)36-25-19-32(20-26-36)14-16-34-22-28-40-38-10-6-8-12-42(38)46(4-2)44(40)30-34;1-31(2,3)20-17-22(32(4,5)6)26-24(18-20)38-29(35-26)21-15-19-16-23-27-25(28(19)39-30(21)37)34(9,10)12-14-36(27)13-11-33(23,7)8;1-31(2,3)20-17-22(32(4,5)6)26-24(18-20)39-29(35-26)21-15-19-16-23-27-25(28(19)38-30(21)37)34(9,10)12-14-36(27)13-11-33(23,7)8;1-28(2,3)26-18-21(25(19-31)32-8)17-22(34-26)10-9-20-15-23-27-24(16-20)30(6,7)12-14-33(27)13-11-29(23,4)5;1-9-30(10-2)19-12-11-17-13-20(26(31)32-22(17)16-19)25-29-24-21(28(6,7)8)14-18(27(3,4)5)15-23(24)33-25;31-27-19-11-9-15-5-1-3-7-17(15)25(19)29-23-13-22-24(14-21(23)27)30-26-18-8-4-2-6-16(18)10-12-20(26)28(22)32;1-23-17-9-5-3-7-13(17)21(25)15-12-20-16(11-19(15)23)22(26)14-8-4-6-10-18(14)24(20)2;23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h5-30H,3-4H2,1-2H3;2*15-18H,11-14H2,1-10H3;9-10,15-18H,11-14H2,1-7H3;11-16H,9-10H2,1-8H3;1-14H,(H,29,31)(H,30,32);3-12H,1-2H3;1-10H,(H,21,23)(H,22,24);1-12H/b15-13+,16-14+;;;10-9+,25-21+;;;;;.
What are the key properties of (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene?
(2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene has a molecular weight of 3896.06 g/mol, XLogP of 63.16, 15 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-tert-butyl-6-[(E)-2-(4,4,10,10-tetramethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;4,19-diazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.021,26]triaconta-1,3(16),5(14),6,8,10,12,17,20(29),21,23,25,27-tridecaene-15,30-dione;3-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-7-(diethylamino)chromen-2-one;5-(4,6-ditert-butyl-1,3-benzothiazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5-(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;9-ethyl-2-[(E)-2-[4-[4-[(E)-2-(9-ethylcarbazol-2-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole;perylene is sourced from PubChem (CID 158065445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).