2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile

C60H35N5O — CID 146562431

IUPAC2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3c(c4ccccc42)CCC=C3)c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C60H35N5O/c61-34-47-58(65-53-27-13-7-21-43(53)45-31-29-36-15-1-2-16-38(36)57(45)65)48(35-62)60(64-51-25-11-5-19-41(51)42-20-6-12-26-52(42)64)56(37-30-32-55-46(33-37)44-22-8-14-28-54(44)66-55)59(47)63-49-23-9-3-17-39(49)40-18-4-10-24-50(40)63/h1-5,7-19,21-33H,6,20H2
InChIKeySDVAALAMDLSDGS-UHFFFAOYSA-N
MW841.97 g/mol
LogP15.25
Rot. Bonds4

About 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile

2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 146562431) has the molecular formula C60H35N5O and a molecular weight of 841.97 g/mol. Its IUPAC name is 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID146562431
Molecular FormulaC60H35N5O
Molecular Weight841.97 g/mol
Exact Mass841.28
IUPAC Name2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3c(c4ccccc42)CCC=C3)c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccc3ccccc3c21
InChIInChI=1S/C60H35N5O/c61-34-47-58(65-53-27-13-7-21-43(53)45-31-29-36-15-1-2-16-38(36)57(45)65)48(35-62)60(64-51-25-11-5-19-41(51)42-20-6-12-26-52(42)64)56(37-30-32-55-46(33-37)44-22-8-14-28-54(44)66-55)59(47)63-49-23-9-3-17-39(49)40-18-4-10-24-50(40)63/h1-5,7-19,21-33H,6,20H2
InChIKeySDVAALAMDLSDGS-UHFFFAOYSA-N
XLogP15.25
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.97
LogP ≤ 515.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-(12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-12-yl)-4,6-di(carbazol-9-yl)-5-(8,9-dihydrodibenzofuran-2-yl)benzene-1,3-dicarbonitrile
CID 146562147
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562135
2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4,6-di(carbazol-9-yl)-5-dibenzofuran-2-ylbenzene-1,3-dicarbonitrile
CID 146562148
2,5-di(carbazol-9-yl)-3,6-di(dibenzofuran-2-yl)benzene-1,4-dicarbonitrile
CID 154989339
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(3,6-dimethylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146562137
3-amino-2,4-di(carbazol-9-yl)-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzonitrile
CID 166727182
4,6-di(carbazol-9-yl)-5-dibenzofuran-2-yl-2-(3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1(13),2(10),4,6,8,11,15,17,19,21,23-undecaen-14-yl)benzene-1,3-dicarbonitrile
CID 146562447
2,5-bis(benzo[a]carbazol-11-yl)-4,6-di(carbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167257765
2,5-diphenyl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-[3-(9-phenyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 163897898
4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 146580320
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(4-methylphenyl)-2-(22-oxa-12-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19-decaen-12-yl)benzene-1,3-dicarbonitrile
CID 146562032
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336

Frequently Asked Questions

What is the IUPAC name of 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 146562431) is 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1c(-n2c3c(c4ccccc42)CCC=C3)c(-c2ccc3oc4ccccc4c3c2)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccc3ccccc3c21.
What is the InChIKey of 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is SDVAALAMDLSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N5O/c61-34-47-58(65-53-27-13-7-21-43(53)45-31-29-36-15-1-2-16-38(36)57(45)65)48(35-62)60(64-51-25-11-5-19-41(51)42-20-6-12-26-52(42)64)56(37-30-32-55-46(33-37)44-22-8-14-28-54(44)66-55)59(47)63-49-23-9-3-17-39(49)40-18-4-10-24-50(40)63/h1-5,7-19,21-33H,6,20H2.
What are the key properties of 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 841.97 g/mol, XLogP of 15.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[a]carbazol-11-yl-4-carbazol-9-yl-5-dibenzofuran-2-yl-6-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146562431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).