N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline

C66H47N3 — CID 176611462

IUPACN-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C66H47N3/c1-6-20-48(21-7-1)61-47-64(62(49-22-8-2-9-23-49)46-63(61)50-34-38-55(39-35-50)67(52-24-10-3-11-25-52)53-26-12-4-13-27-53)51-36-40-56(41-37-51)68(54-28-14-5-15-29-54)57-42-44-58(45-43-57)69-65-32-18-16-30-59(65)60-31-17-19-33-66(60)69/h1-47H
InChIKeyQFAUYFDDQPEZDU-UHFFFAOYSA-N
MW882.12 g/mol
LogP18.39
Rot. Bonds11

About N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline (PubChem CID 176611462) has the molecular formula C66H47N3 and a molecular weight of 882.12 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
PubChem CID176611462
Molecular FormulaC66H47N3
Molecular Weight882.12 g/mol
Exact Mass881.38
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C66H47N3/c1-6-20-48(21-7-1)61-47-64(62(49-22-8-2-9-23-49)46-63(61)50-34-38-55(39-35-50)67(52-24-10-3-11-25-52)53-26-12-4-13-27-53)51-36-40-56(41-37-51)68(54-28-14-5-15-29-54)57-42-44-58(45-43-57)69-65-32-18-16-30-59(65)60-31-17-19-33-66(60)69/h1-47H
InChIKeyQFAUYFDDQPEZDU-UHFFFAOYSA-N
XLogP18.39
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.12
LogP ≤ 518.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 88673333
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
4-(4-carbazol-9-ylphenyl)-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]aniline
CID 175169513

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline (CID 176611462) is N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline?
The InChIKey is QFAUYFDDQPEZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3/c1-6-20-48(21-7-1)61-47-64(62(49-22-8-2-9-23-49)46-63(61)50-34-38-55(39-35-50)67(52-24-10-3-11-25-52)53-26-12-4-13-27-53)51-36-40-56(41-37-51)68(54-28-14-5-15-29-54)57-42-44-58(45-43-57)69-65-32-18-16-30-59(65)60-31-17-19-33-66(60)69/h1-47H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline has a molecular weight of 882.12 g/mol, XLogP of 18.39, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 176611462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).