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

C74H53N5 — CID 59344006

IUPAC4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4cc(N(c6ccc(C#N)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C74H53N5/c1-73(2)67-16-10-8-14-61(67)63-38-26-52(42-69(63)73)50-22-32-57(33-23-50)77(55-28-18-48(46-75)19-29-55)59-36-40-71-65(44-59)66-45-60(37-41-72(66)79(71)54-12-6-5-7-13-54)78(56-30-20-49(47-76)21-31-56)58-34-24-51(25-35-58)53-27-39-64-62-15-9-11-17-68(62)74(3,4)70(64)43-53/h5-45H,1-4H3
InChIKeyPAFGYLDKWMSHNH-UHFFFAOYSA-N
MW1012.27 g/mol
LogP19.41
Rot. Bonds9

About 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

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 (PubChem CID 59344006) has the molecular formula C74H53N5 and a molecular weight of 1012.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID59344006
Molecular FormulaC74H53N5
Molecular Weight1012.27 g/mol
Exact Mass1011.43
IUPAC Name4-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4cc(N(c6ccc(C#N)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccccc4)cc3)cc21
InChIInChI=1S/C74H53N5/c1-73(2)67-16-10-8-14-61(67)63-38-26-52(42-69(63)73)50-22-32-57(33-23-50)77(55-28-18-48(46-75)19-29-55)59-36-40-71-65(44-59)66-45-60(37-41-72(66)79(71)54-12-6-5-7-13-54)78(56-30-20-49(47-76)21-31-56)58-34-24-51(25-35-58)53-27-39-64-62-15-9-11-17-68(62)74(3,4)70(64)43-53/h5-45H,1-4H3
InChIKeyPAFGYLDKWMSHNH-UHFFFAOYSA-N
XLogP19.41
TPSA58.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001012.27
LogP ≤ 519.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile
CID 122659674
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
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
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenyl-6-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]carbazol-3-amine
CID 58384032
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
4-[N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-3-yl)anilino]benzonitrile;(9,9-dimethylfluoren-2-yl)-phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphane;9,9-dimethyl-N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 158194444
4-[9-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)benzo[c]carbazol-7-yl]benzonitrile
CID 163572335
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;propane
CID 145262951

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccc(C#N)cc4)c4ccc5c(c4)c4cc(N(c6ccc(C#N)cc6)c6ccc(-c7ccc8c(c7)C(C)(C)c7ccccc7-8)cc6)ccc4n5-c4ccccc4)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is PAFGYLDKWMSHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H53N5/c1-73(2)67-16-10-8-14-61(67)63-38-26-52(42-69(63)73)50-22-32-57(33-23-50)77(55-28-18-48(46-75)19-29-55)59-36-40-71-65(44-59)66-45-60(37-41-72(66)79(71)54-12-6-5-7-13-54)78(56-30-20-49(47-76)21-31-56)58-34-24-51(25-35-58)53-27-39-64-62-15-9-11-17-68(62)74(3,4)70(64)43-53/h5-45H,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 1012.27 g/mol, XLogP of 19.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59344006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).