9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine

C72H50N4 — CID 167019949

IUPAC9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C72H50N4/c1-5-21-53(22-6-1)61-29-13-17-33-67(61)73(59-45-47-71-65(49-59)63-31-15-19-35-69(63)75(71)55-25-9-3-10-26-55)57-41-37-51(38-42-57)52-39-43-58(44-40-52)74(68-34-18-14-30-62(68)54-23-7-2-8-24-54)60-46-48-72-66(50-60)64-32-16-20-36-70(64)76(72)56-27-11-4-12-28-56/h1-50H
InChIKeyJGGOAHIEFLCCSR-UHFFFAOYSA-N
MW971.22 g/mol
LogP19.82
Rot. Bonds11

About 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine

9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine (PubChem CID 167019949) has the molecular formula C72H50N4 and a molecular weight of 971.22 g/mol. Its IUPAC name is 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
PubChem CID167019949
Molecular FormulaC72H50N4
Molecular Weight971.22 g/mol
Exact Mass970.40
IUPAC Name9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C72H50N4/c1-5-21-53(22-6-1)61-29-13-17-33-67(61)73(59-45-47-71-65(49-59)63-31-15-19-35-69(63)75(71)55-25-9-3-10-26-55)57-41-37-51(38-42-57)52-39-43-58(44-40-52)74(68-34-18-14-30-62(68)54-23-7-2-8-24-54)60-46-48-72-66(50-60)64-32-16-20-36-70(64)76(72)56-27-11-4-12-28-56/h1-50H
InChIKeyJGGOAHIEFLCCSR-UHFFFAOYSA-N
XLogP19.82
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.22
LogP ≤ 519.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
5,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(2-phenylphenyl)carbazol-3-amine
CID 169009793
9-phenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]-N-(2-phenylphenyl)carbazol-3-amine
CID 174257832
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylaniline;2-phenyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;2-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 158204517
2-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 121329642
5,9-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169010302
N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502041
5,9-diphenyl-N-(9-phenylcarbazol-3-yl)-N-(2-phenylphenyl)carbazol-3-amine
CID 169010368
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
9-phenyl-N-(2-phenylphenyl)-N-[4-[3-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]pyrazin-2-yl]phenyl]carbazol-3-amine
CID 58921997
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]benzo[c]carbazol-2-amine
CID 155034262
N-(4-carbazol-9-ylphenyl)-5,9-diphenyl-N-(2-phenylphenyl)carbazol-3-amine
CID 169010216

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?
The IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine (CID 167019949) is 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4-c4ccccc4)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?
The InChIKey is JGGOAHIEFLCCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N4/c1-5-21-53(22-6-1)61-29-13-17-33-67(61)73(59-45-47-71-65(49-59)63-31-15-19-35-69(63)75(71)55-25-9-3-10-26-55)57-41-37-51(38-42-57)52-39-43-58(44-40-52)74(68-34-18-14-30-62(68)54-23-7-2-8-24-54)60-46-48-72-66(50-60)64-32-16-20-36-70(64)76(72)56-27-11-4-12-28-56/h1-50H.
What are the key properties of 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine has a molecular weight of 971.22 g/mol, XLogP of 19.82, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 167019949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).