7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

C86H76N4O2 — CID 156529786

IUPAC7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6cc7oc8cc(N(c9ccccc9)c9cccc%10c%11ccccc%11n(-c%11cc(C(C)(C)C)cc(C(C)(C)C)c%11)c9%10)ccc8c7cc6cc45)c32)cc(C(C)(C)C)c1
InChIInChI=1S/C86H76N4O2/c1-83(2,3)55-45-56(84(4,5)6)48-63(47-55)89-73-33-21-19-29-65(73)69-31-23-35-75(81(69)89)87(59-25-15-13-16-26-59)61-37-39-67-71-41-53-42-72-68-40-38-62(52-80(68)92-78(72)44-54(53)43-77(71)91-79(67)51-61)88(60-27-17-14-18-28-60)76-36-24-32-70-66-30-20-22-34-74(66)90(82(70)76)64-49-57(85(7,8)9)46-58(50-64)86(10,11)12/h13-52H,1-12H3
InChIKeyVQZYWVZLRBFVPK-UHFFFAOYSA-N
MW1197.58 g/mol
LogP24.96
Rot. Bonds8

About 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine

7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (PubChem CID 156529786) has the molecular formula C86H76N4O2 and a molecular weight of 1197.58 g/mol. Its IUPAC name is 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.

Molecular Properties

Compound Name7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
PubChem CID156529786
Molecular FormulaC86H76N4O2
Molecular Weight1197.58 g/mol
Exact Mass1196.60
IUPAC Name7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
SMILESCC(C)(C)c1cc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6cc7oc8cc(N(c9ccccc9)c9cccc%10c%11ccccc%11n(-c%11cc(C(C)(C)C)cc(C(C)(C)C)c%11)c9%10)ccc8c7cc6cc45)c32)cc(C(C)(C)C)c1
InChIInChI=1S/C86H76N4O2/c1-83(2,3)55-45-56(84(4,5)6)48-63(47-55)89-73-33-21-19-29-65(73)69-31-23-35-75(81(69)89)87(59-25-15-13-16-26-59)61-37-39-67-71-41-53-42-72-68-40-38-62(52-80(68)92-78(72)44-54(53)43-77(71)91-79(67)51-61)88(60-27-17-14-18-28-60)76-36-24-32-70-66-30-20-22-34-74(66)90(82(70)76)64-49-57(85(7,8)9)46-58(50-64)86(10,11)12/h13-52H,1-12H3
InChIKeyVQZYWVZLRBFVPK-UHFFFAOYSA-N
XLogP24.96
TPSA42.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.58
LogP ≤ 524.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine with MolForge

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Related Compounds

7-N,19-N-bis[7-(3-tert-butylphenyl)-9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-diphenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 156529557
N-dibenzofuran-3-yl-9-phenyl-N-(4-phenylphenyl)carbazol-1-amine
CID 164790550
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-2-yl]-7-N,19-N-bis(9,9-dimethylfluoren-2-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16(21),17,19,23-undecaene-7,19-diamine
CID 156529558
10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-bis(4-phenylphenyl)-13-oxa-19-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.020,25.026,30]triaconta-1(29),2(18),3,5,7(12),8,10,14,16,20(25),21,23,26(30),27-tetradecaene-10,22-diamine
CID 164840282
6-N,18-N-bis[9-(3,5-ditert-butylphenyl)-6-methylcarbazol-2-yl]-6-N,18-N-diphenyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
CID 156529399
26-tert-butyl-10-N,22-N-bis(4-tert-butylphenyl)-10-N,22-N-diphenyl-13-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.06,14.07,12.023,30.024,29]triaconta-2,4,6(14),7(12),8,10,15,17,19(30),20,22,24(29),25,27-tetradecaene-10,22-diamine
CID 164840283
N-(22-oxahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),16,18,20,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721760
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 118187034
N-(16-oxahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-yl)-N,9-diphenylcarbazol-1-amine
CID 164721890
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
N-dibenzofuran-2-yl-2-phenyl-N-(9-phenylcarbazol-1-yl)-[1]benzofuro[3,2-e][1,3]benzoxazol-8-amine
CID 167125018

Frequently Asked Questions

What is the IUPAC name of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The IUPAC name of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (CID 156529786) is 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.
What is the SMILES notation for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The canonical SMILES for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is CC(C)(C)c1cc(-n2c3ccccc3c3cccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6cc7oc8cc(N(c9ccccc9)c9cccc%10c%11ccccc%11n(-c%11cc(C(C)(C)C)cc(C(C)(C)C)c%11)c9%10)ccc8c7cc6cc45)c32)cc(C(C)(C)C)c1.
What is the InChIKey of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
The InChIKey is VQZYWVZLRBFVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H76N4O2/c1-83(2,3)55-45-56(84(4,5)6)48-63(47-55)89-73-33-21-19-29-65(73)69-31-23-35-75(81(69)89)87(59-25-15-13-16-26-59)61-37-39-67-71-41-53-42-72-68-40-38-62(52-80(68)92-78(72)44-54(53)43-77(71)91-79(67)51-61)88(60-27-17-14-18-28-60)76-36-24-32-70-66-30-20-22-34-74(66)90(82(70)76)64-49-57(85(7,8)9)46-58(50-64)86(10,11)12/h13-52H,1-12H3.
What are the key properties of 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine?
7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine has a molecular weight of 1197.58 g/mol, XLogP of 24.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,19-N-bis[9-(3,5-ditert-butylphenyl)carbazol-1-yl]-7-N,19-N-diphenyl-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine is sourced from PubChem (CID 156529786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).