4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile

C44H27N5 — CID 146580320

IUPAC4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2c(c3ccccc31)CCC=C2
InChIInChI=1S/C44H27N5/c45-26-34-42(47-36-19-7-1-13-28(36)29-14-2-8-20-37(29)47)25-43(48-38-21-9-3-15-30(38)31-16-4-10-22-39(31)48)35(27-46)44(34)49-40-23-11-5-17-32(40)33-18-6-12-24-41(33)49/h1-5,7-17,19-25H,6,18H2
InChIKeyYWCVSLSLNXOKKP-UHFFFAOYSA-N
MW625.74 g/mol
LogP10.53
Rot. Bonds3

About 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile

4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 146580320) has the molecular formula C44H27N5 and a molecular weight of 625.74 g/mol. Its IUPAC name is 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID146580320
Molecular FormulaC44H27N5
Molecular Weight625.74 g/mol
Exact Mass625.23
IUPAC Name4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2c(c3ccccc31)CCC=C2
InChIInChI=1S/C44H27N5/c45-26-34-42(47-36-19-7-1-13-28(36)29-14-2-8-20-37(29)47)25-43(48-38-21-9-3-15-30(38)31-16-4-10-22-39(31)48)35(27-46)44(34)49-40-23-11-5-17-32(40)33-18-6-12-24-41(33)49/h1-5,7-17,19-25H,6,18H2
InChIKeyYWCVSLSLNXOKKP-UHFFFAOYSA-N
XLogP10.53
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.74
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118983962
4-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzene-1,3-dicarbonitrile
CID 166727336
5-[2,4,5-tri(carbazol-9-yl)-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 145186417
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
3-amino-2,4-di(carbazol-9-yl)-6-(3,4-dihydrocarbazol-9-yl)-5-phenylbenzonitrile
CID 166727182
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 167280385
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
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
2-carbazol-9-yl-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)-6-(3,4,5,6-tetrahydrocarbazol-9-yl)benzonitrile
CID 163919039
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
2-(1,2-dihydrobenzo[c]carbazol-7-yl)-5-(11-phenyl-7,8-dihydroindolo[3,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 155417171

Frequently Asked Questions

What is the IUPAC name of 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 146580320) is 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2c(c3ccccc31)CCC=C2.
What is the InChIKey of 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is YWCVSLSLNXOKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5/c45-26-34-42(47-36-19-7-1-13-28(36)29-14-2-8-20-37(29)47)25-43(48-38-21-9-3-15-30(38)31-16-4-10-22-39(31)48)35(27-46)44(34)49-40-23-11-5-17-32(40)33-18-6-12-24-41(33)49/h1-5,7-17,19-25H,6,18H2.
What are the key properties of 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile?
4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 625.74 g/mol, XLogP of 10.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(carbazol-9-yl)-2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 146580320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).