9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile

C45H25N5 — CID 155080660

IUPAC9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)39-15-8-11-32(27-47)45(39)50(44)41-16-4-1-12-36(41)31-10-7-9-30(24-31)35-21-20-34(25-33(35)28-48)49-42-17-5-2-13-37(42)38-14-3-6-18-43(38)49/h1-25H
InChIKeyGCPVMKDKBNSYQV-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile

9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile (PubChem CID 155080660) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
PubChem CID155080660
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c1
InChIInChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)39-15-8-11-32(27-47)45(39)50(44)41-16-4-1-12-36(41)31-10-7-9-30(24-31)35-21-20-34(25-33(35)28-48)49-42-17-5-2-13-37(42)38-14-3-6-18-43(38)49/h1-25H
InChIKeyGCPVMKDKBNSYQV-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1-carbonitrile
CID 155080592
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080706
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
9-[4-[3-(2-carbazol-9-ylphenyl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155080959
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
9-[4-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958735
9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile?
The IUPAC name of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile (CID 155080660) is 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cccc(C#N)c1n2-c1ccccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C#N)c1.
What is the InChIKey of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile?
The InChIKey is GCPVMKDKBNSYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-19-22-44-40(23-29)39-15-8-11-32(27-47)45(39)50(44)41-16-4-1-12-36(41)31-10-7-9-30(24-31)35-21-20-34(25-33(35)28-48)49-42-17-5-2-13-37(42)38-14-3-6-18-43(38)49/h1-25H.
What are the key properties of 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile?
9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3-(4-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-1,6-dicarbonitrile is sourced from PubChem (CID 155080660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).