11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C42H27N5 — CID 176637646

IUPAC11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5-c5ccccc5-c5ccc(C6N=c7ccccc7=N6)cc54)cc32)nc1
InChIInChI=1S/C42H27N5/c1-2-12-30-29(11-1)31-13-3-7-17-37(31)46(39-25-27(20-22-33(30)39)42-44-35-15-5-6-16-36(35)45-42)28-21-23-34-32-14-4-8-18-38(32)47(40(34)26-28)41-19-9-10-24-43-41/h1-26,42H
InChIKeyOHZBIPNQDACCGI-UHFFFAOYSA-N
MW601.71 g/mol
LogP9.25
Rot. Bonds3

About 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 176637646) has the molecular formula C42H27N5 and a molecular weight of 601.71 g/mol. Its IUPAC name is 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID176637646
Molecular FormulaC42H27N5
Molecular Weight601.71 g/mol
Exact Mass601.23
IUPAC Name11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESc1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5-c5ccccc5-c5ccc(C6N=c7ccccc7=N6)cc54)cc32)nc1
InChIInChI=1S/C42H27N5/c1-2-12-30-29(11-1)31-13-3-7-17-37(31)46(39-25-27(20-22-33(30)39)42-44-35-15-5-6-16-36(35)45-42)28-21-23-34-32-14-4-8-18-38(32)47(40(34)26-28)41-19-9-10-24-43-41/h1-26,42H
InChIKeyOHZBIPNQDACCGI-UHFFFAOYSA-N
XLogP9.25
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.71
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

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Related Compounds

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2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
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2-[4-(23-pyridin-2-yl-14,23-diazahexacyclo[13.11.0.02,7.08,13.016,24.017,22]hexacosa-1(15),2,4,6,8,10,12,16(24),17,19,21,25-dodecaen-14-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129258665
2-(benzotriazol-1-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
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CID 163454570
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
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2-pyridazin-1-ium-1-yl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
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Frequently Asked Questions

What is the IUPAC name of 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 176637646) is 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is c1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5-c5ccccc5-c5ccc(C6N=c7ccccc7=N6)cc54)cc32)nc1.
What is the InChIKey of 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is OHZBIPNQDACCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N5/c1-2-12-30-29(11-1)31-13-3-7-17-37(31)46(39-25-27(20-22-33(30)39)42-44-35-15-5-6-16-36(35)45-42)28-21-23-34-32-14-4-8-18-38(32)47(40(34)26-28)41-19-9-10-24-43-41/h1-26,42H.
What are the key properties of 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 601.71 g/mol, XLogP of 9.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 176637646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).