9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile

C56H35N3 — CID 153302025

IUPAC9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)ccc1-2
InChIInChI=1S/C56H35N3/c57-36-37-24-28-44-45-30-27-43(35-51(45)56(50(44)32-37,40-14-4-1-5-15-40)41-16-6-2-7-17-41)59-52-22-12-10-20-46(52)48-29-25-39(34-55(48)59)38-26-31-54-49(33-38)47-21-11-13-23-53(47)58(54)42-18-8-3-9-19-42/h1-35H
InChIKeyFIIIEODDBBFENX-UHFFFAOYSA-N
MW749.92 g/mol
LogP13.78
Rot. Bonds5

About 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile

9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile (PubChem CID 153302025) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile.

Molecular Properties

Compound Name9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile
PubChem CID153302025
Molecular FormulaC56H35N3
Molecular Weight749.92 g/mol
Exact Mass749.28
IUPAC Name9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile
SMILESN#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)ccc1-2
InChIInChI=1S/C56H35N3/c57-36-37-24-28-44-45-30-27-43(35-51(45)56(50(44)32-37,40-14-4-1-5-15-40)41-16-6-2-7-17-41)59-52-22-12-10-20-46(52)48-29-25-39(34-55(48)59)38-26-31-54-49(33-38)47-21-11-13-23-53(47)58(54)42-18-8-3-9-19-42/h1-35H
InChIKeyFIIIEODDBBFENX-UHFFFAOYSA-N
XLogP13.78
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 118449308
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-2-amine;4-[4-(9,9-diphenylfluoren-2-yl)-N-(9-phenylcarbazol-2-yl)anilino]benzonitrile
CID 160561696
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236586
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
4-[4-[2-[9-(4-methylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 145134822

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile?
The IUPAC name of 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile (CID 153302025) is 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile.
What is the SMILES notation for 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile?
The canonical SMILES for 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile is N#Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-n3c4ccccc4c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc43)ccc1-2.
What is the InChIKey of 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile?
The InChIKey is FIIIEODDBBFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c57-36-37-24-28-44-45-30-27-43(35-51(45)56(50(44)32-37,40-14-4-1-5-15-40)41-16-6-2-7-17-41)59-52-22-12-10-20-46(52)48-29-25-39(34-55(48)59)38-26-31-54-49(33-38)47-21-11-13-23-53(47)58(54)42-18-8-3-9-19-42/h1-35H.
What are the key properties of 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile?
9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile has a molecular weight of 749.92 g/mol, XLogP of 13.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-7-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]fluorene-2-carbonitrile is sourced from PubChem (CID 153302025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).