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

C52H35N3 — CID 118449201

IUPAC4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)ccc54)cc3)ccc21
InChIInChI=1S/C52H35N3/c1-52(2)46-12-6-3-9-40(46)43-29-35(19-26-47(43)52)34-17-24-39(25-18-34)55-49-14-8-5-11-42(49)45-31-37(21-28-51(45)55)36-20-27-50-44(30-36)41-10-4-7-13-48(41)54(50)38-22-15-33(32-53)16-23-38/h3-31H,1-2H3
InChIKeyQAQAAZMOVYGNEX-UHFFFAOYSA-N
MW701.87 g/mol
LogP13.39
Rot. Bonds4

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

4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile (PubChem CID 118449201) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
PubChem CID118449201
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC Name4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)ccc54)cc3)ccc21
InChIInChI=1S/C52H35N3/c1-52(2)46-12-6-3-9-40(46)43-29-35(19-26-47(43)52)34-17-24-39(25-18-34)55-49-14-8-5-11-42(49)45-31-37(21-28-51(45)55)36-20-27-50-44(30-36)41-10-4-7-13-48(41)54(50)38-22-15-33(32-53)16-23-38/h3-31H,1-2H3
InChIKeyQAQAAZMOVYGNEX-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-[4-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 118449308
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
4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 122659674
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]benzonitrile
CID 146226406
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
9-(9,9-dimethylfluoren-1-yl)-3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]carbazole;4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;7-phenyl-5-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 163701249
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
7,7-dimethyl-2,5-bis(9-phenylcarbazol-3-yl)indeno[2,1-b]carbazole
CID 89472025
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
2,5-bis[7,7-dimethyl-2-(9-phenylcarbazol-2-yl)indeno[2,1-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 121328601

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The IUPAC name of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile (CID 118449201) is 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile is CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(C#N)cc6)ccc54)cc3)ccc21.
What is the InChIKey of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
The InChIKey is QAQAAZMOVYGNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-52(2)46-12-6-3-9-40(46)43-29-35(19-26-47(43)52)34-17-24-39(25-18-34)55-49-14-8-5-11-42(49)45-31-37(21-28-51(45)55)36-20-27-50-44(30-36)41-10-4-7-13-48(41)54(50)38-22-15-33(32-53)16-23-38/h3-31H,1-2H3.
What are the key properties of 4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile?
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]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-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile is sourced from PubChem (CID 118449201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).