9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C42H25N3 — CID 118422791

IUPAC9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1ccc2c3ccccc3n3c4ccccc4c1c23
InChIInChI=1S/C42H25N3/c1-6-17-32-26(12-1)27-13-2-7-18-33(27)43(32)37-22-11-23-38-40(37)30-15-4-9-20-35(30)44(38)39-25-24-29-28-14-3-8-19-34(28)45-36-21-10-5-16-31(36)41(39)42(29)45/h1-25H
InChIKeyPCXIKVSEBYXVCD-UHFFFAOYSA-N
MW571.68 g/mol
LogP11.03
Rot. Bonds2

About 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 118422791) has the molecular formula C42H25N3 and a molecular weight of 571.68 g/mol. Its IUPAC name is 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID118422791
Molecular FormulaC42H25N3
Molecular Weight571.68 g/mol
Exact Mass571.20
IUPAC Name9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1ccc2c3ccccc3n3c4ccccc4c1c23
InChIInChI=1S/C42H25N3/c1-6-17-32-26(12-1)27-13-2-7-18-33(27)43(32)37-22-11-23-38-40(37)30-15-4-9-20-35(30)44(38)39-25-24-29-28-14-3-8-19-34(28)45-36-21-10-5-16-31(36)41(39)42(29)45/h1-25H
InChIKeyPCXIKVSEBYXVCD-UHFFFAOYSA-N
XLogP11.03
TPSA14.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.68
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

1-carbazol-9-yl-9-[9-(9-phenylcarbazol-1-yl)carbazol-4-yl]carbazole
CID 177094947
1-(4-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-1-yl)carbazole
CID 177094929
9-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118422818
9-(2-diphenylphosphorylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 147223016
12,18-diphenyl-15-(9-phenylcarbazol-4-yl)-12,15,18-triazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 174349441
4-carbazol-9-yl-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 134352687
4-carbazol-9-yl-9-(2-methylphenyl)carbazole
CID 174273239
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
11-phenyl-12-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]indolo[2,3-a]carbazole
CID 170268295
9-[2,6-bis(2-carbazol-9-ylphenyl)phenyl]-4-carbazol-9-ylcarbazole
CID 177114986
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
3-(4-carbazol-9-ylcarbazol-9-yl)-9-triphenylen-2-ylcarbazole
CID 134240254

Frequently Asked Questions

What is the IUPAC name of 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 118422791) is 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)c1ccccc1n2-c1cccc2c1c1ccccc1n2-c1ccc2c3ccccc3n3c4ccccc4c1c23.
What is the InChIKey of 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is PCXIKVSEBYXVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3/c1-6-17-32-26(12-1)27-13-2-7-18-33(27)43(32)37-22-11-23-38-40(37)30-15-4-9-20-35(30)44(38)39-25-24-29-28-14-3-8-19-34(28)45-36-21-10-5-16-31(36)41(39)42(29)45/h1-25H.
What are the key properties of 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 571.68 g/mol, XLogP of 11.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 118422791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).