6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene

C56H38N2 — CID 176726732

IUPAC6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c5cccc6c5n(c4c3)c3c4cccc5c7ccc(-c8ccc9c(c8)-c8ccccc8C9(C)C)cc7n(c54)c63)ccc21
InChIInChI=1S/C56H38N2/c1-55(2)45-17-7-5-11-35(45)43-27-31(21-25-47(43)55)33-19-23-37-39-13-9-15-41-51(39)57(49(37)29-33)53-42-16-10-14-40-38-24-20-34(30-50(38)58(52(40)42)54(41)53)32-22-26-48-44(28-32)36-12-6-8-18-46(36)56(48,3)4/h5-30H,1-4H3
InChIKeySTZJYJLZWGVWIL-UHFFFAOYSA-N
MW738.93 g/mol
LogP14.78
Rot. Bonds2

About 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene

6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene (PubChem CID 176726732) has the molecular formula C56H38N2 and a molecular weight of 738.93 g/mol. Its IUPAC name is 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene.

Molecular Properties

Compound Name6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene
PubChem CID176726732
Molecular FormulaC56H38N2
Molecular Weight738.93 g/mol
Exact Mass738.30
IUPAC Name6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c5cccc6c5n(c4c3)c3c4cccc5c7ccc(-c8ccc9c(c8)-c8ccccc8C9(C)C)cc7n(c54)c63)ccc21
InChIInChI=1S/C56H38N2/c1-55(2)45-17-7-5-11-35(45)43-27-31(21-25-47(43)55)33-19-23-37-39-13-9-15-41-51(39)57(49(37)29-33)53-42-16-10-14-40-38-24-20-34(30-50(38)58(52(40)42)54(41)53)32-22-26-48-44(28-32)36-12-6-8-18-46(36)56(48,3)4/h5-30H,1-4H3
InChIKeySTZJYJLZWGVWIL-UHFFFAOYSA-N
XLogP14.78
TPSA8.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.93
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene with MolForge

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Related Compounds

11,11,23,23-tetramethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15(33),16,18,20,22(30),24,26,28,31-pentadecaene
CID 146376476
14,14,36,36-tetramethyl-5,27-diazatridecacyclo[25.17.1.15,19.02,26.04,24.06,18.07,15.08,13.028,40.029,37.030,35.041,45.023,46]hexatetraconta-1(44),2,4(24),6(18),7(15),8,10,12,16,19(46),20,22,25,28(40),29(37),30,32,34,38,41(45),42-henicosaene
CID 138745246
4-[6-(9H-fluoren-1-yl)-9,9-dimethylfluoren-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537491
4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537506
12-[3-(9,9-dimethylfluoren-3-yl)phenyl]-1,12-diazaheptacyclo[14.12.0.02,14.05,13.06,11.017,22.023,28]octacosa-2(14),3,5(13),6,8,10,15,17,19,21,23,25,27-tridecaene
CID 118331088
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
8-N,23-N-bis(9,9-dimethylfluoren-3-yl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 138745094
7,28-diphenyl-1,4-diazanonacyclo[18.10.1.14,11.02,19.03,16.05,10.024,31.025,30.015,32]dotriaconta-2(19),3(16),5(10),6,8,11(32),12,14,17,20,22,24(31),25(30),26,28-pentadecaene
CID 177452271
4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122537531
(Z)-but-2-ene;16-(9,9-dimethylfluoren-3-yl)-6-methyl-7-(2-methylphenyl)-12-azahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2(11),3,5,7,9,13(18),14,16,19(23),20-undecaene
CID 142323849
13-(9,9-dimethylfluoren-3-yl)-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 122533773
21-(9,9-dimethylfluoren-3-yl)-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577808

Frequently Asked Questions

What is the IUPAC name of 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene?
The IUPAC name of 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene (CID 176726732) is 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene.
What is the SMILES notation for 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene?
The canonical SMILES for 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene is CC1(C)c2ccccc2-c2cc(-c3ccc4c5cccc6c5n(c4c3)c3c4cccc5c7ccc(-c8ccc9c(c8)-c8ccccc8C9(C)C)cc7n(c54)c63)ccc21.
What is the InChIKey of 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene?
The InChIKey is STZJYJLZWGVWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N2/c1-55(2)45-17-7-5-11-35(45)43-27-31(21-25-47(43)55)33-19-23-37-39-13-9-15-41-51(39)57(49(37)29-33)53-42-16-10-14-40-38-24-20-34(30-50(38)58(52(40)42)54(41)53)32-22-26-48-44(28-32)36-12-6-8-18-46(36)56(48,3)4/h5-30H,1-4H3.
What are the key properties of 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene?
6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene has a molecular weight of 738.93 g/mol, XLogP of 14.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-bis(9,9-dimethylfluoren-3-yl)-3,16-diazaoctacyclo[14.10.1.13,10.02,15.04,9.017,22.023,27.014,28]octacosa-1(26),2(15),4(9),5,7,10(28),11,13,17(22),18,20,23(27),24-tridecaene is sourced from PubChem (CID 176726732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).