9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile

C44H30N4 — CID 167280339

IUPAC9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile
SMILESN#CC1=Cc2c(c3c(n2-c2ccccc2-c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(C#N)c4)cc2)CCC=C3)CC1
InChIInChI=1S/C44H30N4/c45-27-29-17-23-38-37-12-4-8-16-43(37)48(44(38)25-29)40-13-5-1-9-34(40)31-20-18-30(19-21-31)32-22-24-39(33(26-32)28-46)47-41-14-6-2-10-35(41)36-11-3-7-15-42(36)47/h1-7,9-15,18-22,24-26H,8,16-17,23H2
InChIKeyFIJAFEBOUWQGFC-UHFFFAOYSA-N
MW614.75 g/mol
LogP10.59
Rot. Bonds4

About 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile

9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile (PubChem CID 167280339) has the molecular formula C44H30N4 and a molecular weight of 614.75 g/mol. Its IUPAC name is 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile
PubChem CID167280339
Molecular FormulaC44H30N4
Molecular Weight614.75 g/mol
Exact Mass614.25
IUPAC Name9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile
SMILESN#CC1=Cc2c(c3c(n2-c2ccccc2-c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(C#N)c4)cc2)CCC=C3)CC1
InChIInChI=1S/C44H30N4/c45-27-29-17-23-38-37-12-4-8-16-43(37)48(44(38)25-29)40-13-5-1-9-34(40)31-20-18-30(19-21-31)32-22-24-39(33(26-32)28-46)47-41-14-6-2-10-35(41)36-11-3-7-15-42(36)47/h1-7,9-15,18-22,24-26H,8,16-17,23H2
InChIKeyFIJAFEBOUWQGFC-UHFFFAOYSA-N
XLogP10.59
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carbazol-9-ylphenyl)-5-[3-cyano-5-(1,2-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163584925
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
9-[2-cyano-4-[4-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155081622
2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336282
9-[4-[4-[3-[2-(1,2-dihydrocarbazol-9-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]carbazole
CID 154971962
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
2-[2-(3-phenylcarbazol-9-yl)phenyl]benzonitrile
CID 175219290
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 167280385
5-carbazol-9-yl-2-[4-(2-carbazol-9-ylphenyl)phenyl]benzonitrile
CID 155080617

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile?
The IUPAC name of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile (CID 167280339) is 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile is N#CC1=Cc2c(c3c(n2-c2ccccc2-c2ccc(-c4ccc(-n5c6ccccc6c6ccccc65)c(C#N)c4)cc2)CCC=C3)CC1.
What is the InChIKey of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile?
The InChIKey is FIJAFEBOUWQGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N4/c45-27-29-17-23-38-37-12-4-8-16-43(37)48(44(38)25-29)40-13-5-1-9-34(40)31-20-18-30(19-21-31)32-22-24-39(33(26-32)28-46)47-41-14-6-2-10-35(41)36-11-3-7-15-42(36)47/h1-7,9-15,18-22,24-26H,8,16-17,23H2.
What are the key properties of 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile?
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile has a molecular weight of 614.75 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]-3,4,7,8-tetrahydrocarbazole-2-carbonitrile is sourced from PubChem (CID 167280339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).