N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline

C66H46N2 — CID 172502154

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-3-17-47(18-4-1)49-31-33-51(34-32-49)52-39-41-54(42-40-52)67(55-43-45-56(46-44-55)68-65-29-15-12-26-62(65)63-27-13-16-30-66(63)68)64-28-14-11-25-61(64)60-24-10-9-23-59(60)58-22-8-7-21-57(58)53-37-35-50(36-38-53)48-19-5-2-6-20-48/h1-46H
InChIKeyVEYSVVCGANFFFN-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline

N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 172502154) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
PubChem CID172502154
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-3-17-47(18-4-1)49-31-33-51(34-32-49)52-39-41-54(42-40-52)67(55-43-45-56(46-44-55)68-65-29-15-12-26-62(65)63-27-13-16-30-66(63)68)64-28-14-11-25-61(64)60-24-10-9-23-59(60)58-22-8-7-21-57(58)53-37-35-50(36-38-53)48-19-5-2-6-20-48/h1-46H
InChIKeyVEYSVVCGANFFFN-UHFFFAOYSA-N
XLogP18.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.11
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
9-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172500939
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-(2-phenylphenyl)aniline
CID 155398224
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503050
9-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501219
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172503107

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (CID 172502154) is N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-n5c6ccccc6c6ccccc65)cc4)c4ccccc4-c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is VEYSVVCGANFFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-3-17-47(18-4-1)49-31-33-51(34-32-49)52-39-41-54(42-40-52)67(55-43-45-56(46-44-55)68-65-29-15-12-26-62(65)63-27-13-16-30-66(63)68)64-28-14-11-25-61(64)60-24-10-9-23-59(60)58-22-8-7-21-57(58)53-37-35-50(36-38-53)48-19-5-2-6-20-48/h1-46H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline has a molecular weight of 867.11 g/mol, XLogP of 18.26, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 172502154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).