2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile

C67H46N4 — CID 130352968

IUPAC2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C67H46N4/c68-47-55-16-13-14-27-63(55)54-18-15-17-51(44-54)48-28-36-61(37-29-48)70(58-23-9-3-10-24-58)62-40-32-50(33-41-62)53-35-43-67-65(46-53)64-45-52(34-42-66(64)71(67)59-25-11-4-12-26-59)49-30-38-60(39-31-49)69(56-19-5-1-6-20-56)57-21-7-2-8-22-57/h1-46H
InChIKeyZUXGQBJWEZZOBT-UHFFFAOYSA-N
MW907.13 g/mol
LogP18.26
Rot. Bonds11

About 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile

2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile (PubChem CID 130352968) has the molecular formula C67H46N4 and a molecular weight of 907.13 g/mol. Its IUPAC name is 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile
PubChem CID130352968
Molecular FormulaC67H46N4
Molecular Weight907.13 g/mol
Exact Mass906.37
IUPAC Name2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)cc2)c1
InChIInChI=1S/C67H46N4/c68-47-55-16-13-14-27-63(55)54-18-15-17-51(44-54)48-28-36-61(37-29-48)70(58-23-9-3-10-24-58)62-40-32-50(33-41-62)53-35-43-67-65(46-53)64-45-52(34-42-66(64)71(67)59-25-11-4-12-26-59)49-30-38-60(39-31-49)69(56-19-5-1-6-20-56)57-21-7-2-8-22-57/h1-46H
InChIKeyZUXGQBJWEZZOBT-UHFFFAOYSA-N
XLogP18.26
TPSA35.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.13
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(6,9-diphenylcarbazol-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 59470021
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
4-(4-carbazol-9-ylphenyl)-N-[4-[3-[3-[4-[4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 88848896
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
2-[4-[4-[8-(N-phenylanilino)pyrido[4,3-b]indol-5-yl]phenyl]phenyl]benzonitrile
CID 135252561
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312844
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
2-[4-[3,5-bis[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]-3,5-bis(2-cyanophenyl)phenyl]benzonitrile
CID 122430970
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile?
The IUPAC name of 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile (CID 130352968) is 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile is N#Cc1ccccc1-c1cccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc4n5-c4ccccc4)cc3)cc2)c1.
What is the InChIKey of 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile?
The InChIKey is ZUXGQBJWEZZOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N4/c68-47-55-16-13-14-27-63(55)54-18-15-17-51(44-54)48-28-36-61(37-29-48)70(58-23-9-3-10-24-58)62-40-32-50(33-41-62)53-35-43-67-65(46-53)64-45-52(34-42-66(64)71(67)59-25-11-4-12-26-59)49-30-38-60(39-31-49)69(56-19-5-1-6-20-56)57-21-7-2-8-22-57/h1-46H.
What are the key properties of 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile?
2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile has a molecular weight of 907.13 g/mol, XLogP of 18.26, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 130352968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).