N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

C66H46N2 — CID 170271851

IUPACN-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5cccc(-c6ccccc6)c5)cc4)cccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-18-47(19-5-1)50-34-36-53(37-35-50)66-59(29-17-33-65(66)68-63-31-14-11-27-60(63)61-28-12-15-32-64(61)68)52-40-44-57(45-41-52)67(56-42-38-51(39-43-56)48-20-6-2-7-21-48)62-30-13-10-26-58(62)55-25-16-24-54(46-55)49-22-8-3-9-23-49/h1-46H
InChIKeyVVXYRRFGLYHZKZ-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline

N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170271851) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170271851
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5cccc(-c6ccccc6)c5)cc4)cccc3-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-18-47(19-5-1)50-34-36-53(37-35-50)66-59(29-17-33-65(66)68-63-31-14-11-27-60(63)61-28-12-15-32-64(61)68)52-40-44-57(45-41-52)67(56-42-38-51(39-43-56)48-20-6-2-7-21-48)62-30-13-10-26-58(62)55-25-16-24-54(46-55)49-22-8-3-9-23-49/h1-46H
InChIKeyVVXYRRFGLYHZKZ-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

N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-2-(3-phenylphenyl)aniline
CID 167322460
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-3,4-diphenyl-N-(2-phenylphenyl)aniline
CID 170271781
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-2-(4-phenylphenyl)aniline
CID 142416169
N-[4-(3-carbazol-9-yl-2-phenylphenyl)phenyl]-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 170271578
N,N-bis[4-(2-carbazol-9-ylphenyl)phenyl]-2-phenylaniline
CID 142416181
2-[9-(2,5-diphenylphenyl)carbazol-2-yl]-N,N-bis(4-phenylphenyl)aniline
CID 118349607
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 167322665
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 167322506
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-(3-phenylphenyl)aniline
CID 139545263
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline (CID 170271851) is N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccccc5-c5cccc(-c6ccccc6)c5)cc4)cccc3-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is VVXYRRFGLYHZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-4-18-47(19-5-1)50-34-36-53(37-35-50)66-59(29-17-33-65(66)68-63-31-14-11-27-60(63)61-28-12-15-32-64(61)68)52-40-44-57(45-41-52)67(56-42-38-51(39-43-56)48-20-6-2-7-21-48)62-30-13-10-26-58(62)55-25-16-24-54(46-55)49-22-8-3-9-23-49/h1-46H.
What are the key properties of N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline?
N-[4-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)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-[3-carbazol-9-yl-2-(4-phenylphenyl)phenyl]phenyl]-2-(3-phenylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170271851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).