4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

C52H35N3 — CID 118449308

IUPAC4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc(C#N)cc6)cc5)ccc43)cc21
InChIInChI=1S/C52H35N3/c1-52(2)46-12-6-3-9-40(46)41-26-25-39(31-47(41)52)55-49-14-8-5-11-43(49)45-30-37(22-28-51(45)55)36-21-27-50-44(29-36)42-10-4-7-13-48(42)54(50)38-23-19-35(20-24-38)34-17-15-33(32-53)16-18-34/h3-31H,1-2H3
InChIKeyXZWYLYPGEFATCU-UHFFFAOYSA-N
MW701.87 g/mol
LogP13.39
Rot. Bonds4

About 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile

4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (PubChem CID 118449308) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
PubChem CID118449308
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc(C#N)cc6)cc5)ccc43)cc21
InChIInChI=1S/C52H35N3/c1-52(2)46-12-6-3-9-40(46)41-26-25-39(31-47(41)52)55-49-14-8-5-11-43(49)45-30-37(22-28-51(45)55)36-21-27-50-44(29-36)42-10-4-7-13-48(42)54(50)38-23-19-35(20-24-38)34-17-15-33(32-53)16-18-34/h3-31H,1-2H3
InChIKeyXZWYLYPGEFATCU-UHFFFAOYSA-N
XLogP13.39
TPSA33.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 118449201
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 122659674
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile;[3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]-triphenylsilane
CID 159887872
2-[3-carbazol-9-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-5-[3-[9-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 135264715
9-(9,9-dimethylfluoren-2-yl)-2-triphenylen-2-ylcarbazole
CID 118919712
9-[7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethylfluoren-2-yl]carbazole
CID 58676147
4-[N-[6-(4-cyano-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino)-9-phenylcarbazol-3-yl]-4-(9,9-dimethylfluoren-2-yl)anilino]benzonitrile
CID 59344006
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile (CID 118449308) is 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccc(C#N)cc6)cc5)ccc43)cc21.
What is the InChIKey of 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
The InChIKey is XZWYLYPGEFATCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-52(2)46-12-6-3-9-40(46)41-26-25-39(31-47(41)52)55-49-14-8-5-11-43(49)45-30-37(22-28-51(45)55)36-21-27-50-44(29-36)42-10-4-7-13-48(42)54(50)38-23-19-35(20-24-38)34-17-15-33(32-53)16-18-34/h3-31H,1-2H3.
What are the key properties of 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile?
4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile has a molecular weight of 701.87 g/mol, XLogP of 13.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile is sourced from PubChem (CID 118449308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).