N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline

C66H46N2 — CID 164832068

IUPACN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-16-47(17-5-1)48-28-30-49(31-29-48)50-32-39-56(40-33-50)67(57-41-34-51(35-42-57)55-38-45-59(52-18-6-2-7-19-52)63(46-55)53-20-8-3-9-21-53)58-43-36-54(37-44-58)60-22-10-13-25-64(60)68-65-26-14-11-23-61(65)62-24-12-15-27-66(62)68/h1-46H
InChIKeyQAUXFSANAPLCEG-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline

N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline (PubChem CID 164832068) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
PubChem CID164832068
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H46N2/c1-4-16-47(17-5-1)48-28-30-49(31-29-48)50-32-39-56(40-33-50)67(57-41-34-51(35-42-57)55-38-45-59(52-18-6-2-7-19-52)63(46-55)53-20-8-3-9-21-53)58-43-36-54(37-44-58)60-22-10-13-25-64(60)68-65-26-14-11-23-61(65)62-24-12-15-27-66(62)68/h1-46H
InChIKeyQAUXFSANAPLCEG-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-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 134380712
N-[4-(2-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467769
N-[4-(2-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 174278644
4-phenyl-N-[4-[4-[2-(2-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 155037999
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-4-phenylaniline
CID 170927017
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,3-diphenylaniline
CID 167322503
4-(2-carbazol-9-ylphenyl)-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]aniline
CID 167528490
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-3-(2-phenylphenyl)aniline
CID 167322827
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 167322176
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167322731
4-(3-carbazol-9-ylphenyl)-N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-phenylaniline
CID 174245460
N-[4-[4-[2-(2,7-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155037754

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline (CID 164832068) is N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)c(-c6ccccc6)c5)cc4)c4ccc(-c5ccccc5-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
The InChIKey is QAUXFSANAPLCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-4-16-47(17-5-1)48-28-30-49(31-29-48)50-32-39-56(40-33-50)67(57-41-34-51(35-42-57)55-38-45-59(52-18-6-2-7-19-52)63(46-55)53-20-8-3-9-21-53)58-43-36-54(37-44-58)60-22-10-13-25-64(60)68-65-26-14-11-23-61(65)62-24-12-15-27-66(62)68/h1-46H.
What are the key properties of N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline?
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(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-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 164832068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).