8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile

C50H29N5 — CID 154958159

IUPAC8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(-n3c4ccccc4c4ccccc43)c1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C#N)c2)cc1
InChIInChI=1S/C50H29N5/c51-30-32-20-26-48-42(28-32)41-14-9-19-49(55-46-17-7-3-12-39(46)40-13-4-8-18-47(40)55)50(41)53(48)36-24-21-33(22-25-36)34-23-27-43(35(29-34)31-52)54-44-15-5-1-10-37(44)38-11-2-6-16-45(38)54/h1-29H
InChIKeyDIUBYNVGQATNSW-UHFFFAOYSA-N
MW699.82 g/mol
LogP12.39
Rot. Bonds4

About 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile

8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 154958159) has the molecular formula C50H29N5 and a molecular weight of 699.82 g/mol. Its IUPAC name is 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
PubChem CID154958159
Molecular FormulaC50H29N5
Molecular Weight699.82 g/mol
Exact Mass699.24
IUPAC Name8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cccc(-n3c4ccccc4c4ccccc43)c1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C#N)c2)cc1
InChIInChI=1S/C50H29N5/c51-30-32-20-26-48-42(28-32)41-14-9-19-49(55-46-17-7-3-12-39(46)40-13-4-8-18-47(40)55)50(41)53(48)36-24-21-33(22-25-36)34-23-27-43(35(29-34)31-52)54-44-15-5-1-10-37(44)38-11-2-6-16-45(38)54/h1-29H
InChIKeyDIUBYNVGQATNSW-UHFFFAOYSA-N
XLogP12.39
TPSA62.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.82
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
6-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 149191639
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 147442900
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[2-[2-cyano-4-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080166

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile (CID 154958159) is 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cccc(-n3c4ccccc4c4ccccc43)c1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(C#N)c2)cc1.
What is the InChIKey of 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is DIUBYNVGQATNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5/c51-30-32-20-26-48-42(28-32)41-14-9-19-49(55-46-17-7-3-12-39(46)40-13-4-8-18-47(40)55)50(41)53(48)36-24-21-33(22-25-36)34-23-27-43(35(29-34)31-52)54-44-15-5-1-10-37(44)38-11-2-6-16-45(38)54/h1-29H.
What are the key properties of 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 699.82 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 154958159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).