11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene

C60H37N3 — CID 168811672

IUPAC11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2c2ccccc2c2cccc3c5ccccc5n4c23)c1
InChIInChI=1S/C60H37N3/c1-3-20-40-38(18-1)39-19-2-4-21-41(39)50-36-58-51(37-59(50)63-57-35-16-9-26-46(57)49-29-17-28-48(40)60(49)63)47-27-10-15-34-56(47)62(58)55-33-14-8-25-45(55)44-24-7-13-32-54(44)61-52-30-11-5-22-42(52)43-23-6-12-31-53(43)61/h1-37H
InChIKeyIUVTVMVRQFQEFI-UHFFFAOYSA-N
MW799.98 g/mol
LogP16.13
Rot. Bonds3

About 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene

11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene (PubChem CID 168811672) has the molecular formula C60H37N3 and a molecular weight of 799.98 g/mol. Its IUPAC name is 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene.

Molecular Properties

Compound Name11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene
PubChem CID168811672
Molecular FormulaC60H37N3
Molecular Weight799.98 g/mol
Exact Mass799.30
IUPAC Name11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene
SMILESc1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2c2ccccc2c2cccc3c5ccccc5n4c23)c1
InChIInChI=1S/C60H37N3/c1-3-20-40-38(18-1)39-19-2-4-21-41(39)50-36-58-51(37-59(50)63-57-35-16-9-26-46(57)49-29-17-28-48(40)60(49)63)47-27-10-15-34-56(47)62(58)55-33-14-8-25-45(55)44-24-7-13-32-54(44)61-52-30-11-5-22-42(52)43-23-6-12-31-53(43)61/h1-37H
InChIKeyIUVTVMVRQFQEFI-UHFFFAOYSA-N
XLogP16.13
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.98
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene with MolForge

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Related Compounds

16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811683
11-phenyl-1,11,15-triazadecacyclo[25.10.1.115,22.02,14.04,12.05,10.016,21.031,38.032,37.026,39]nonatriaconta-2(14),3,5,7,9,12,16,18,20,22(39),23,25,27,29,31(38),32,34,36-octadecaene
CID 118186719
3-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(30),2(7),3,5,8,10,12,14,16,18,21,23,25,27(31),28-pentadecaene
CID 168811827
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-15-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene
CID 146573232
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
5-phenyl-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 126699843
5,38-diazaheptadecacyclo[36.28.1.15,30.02,37.04,35.06,29.08,27.09,14.015,20.021,26.039,62.041,60.042,47.048,53.054,59.063,67.034,68]octahexaconta-1(66),2,4(35),6(29),7,9,11,13,15,17,19,21,23,25,27,30(68),31,33,36,39(62),40,42,44,46,48,50,52,54,56,58,60,63(67),64-tritriacontaene
CID 170210969
3,6-dimethyl-9-[2-[2-(3-methylcarbazol-9-yl)phenyl]phenyl]carbazole
CID 170060425
9-[2-(2-carbazol-9-ylphenyl)phenyl]-3-methylcarbazole
CID 170201849
9-[2-(2-benzo[b]triphenylen-10-ylphenyl)phenyl]carbazole
CID 126633118
4-(3-carbazol-9-ylcarbazol-9-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 118422803
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354

Frequently Asked Questions

What is the IUPAC name of 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene?
The IUPAC name of 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene (CID 168811672) is 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene.
What is the SMILES notation for 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene?
The canonical SMILES for 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene is c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3cc4c(cc32)c2ccccc2c2ccccc2c2cccc3c5ccccc5n4c23)c1.
What is the InChIKey of 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene?
The InChIKey is IUVTVMVRQFQEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3/c1-3-20-40-38(18-1)39-19-2-4-21-41(39)50-36-58-51(37-59(50)63-57-35-16-9-26-46(57)49-29-17-28-48(40)60(49)63)47-27-10-15-34-56(47)62(58)55-33-14-8-25-45(55)44-24-7-13-32-54(44)61-52-30-11-5-22-42(52)43-23-6-12-31-53(43)61/h1-37H.
What are the key properties of 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene?
11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene has a molecular weight of 799.98 g/mol, XLogP of 16.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(2-carbazol-9-ylphenyl)phenyl]-1,11-diazanonacyclo[25.10.1.02,14.04,12.05,10.015,20.021,26.031,38.032,37]octatriaconta-2,4(12),5,7,9,13,15,17,19,21,23,25,27(38),28,30,32,34,36-octadecaene is sourced from PubChem (CID 168811672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).