N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline

C72H50N2 — CID 167195663

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C72H50N2/c1-6-21-51(22-7-1)59-44-60(52-23-8-2-9-24-52)46-61(45-59)55-39-41-65(42-40-55)73(67-49-62(53-25-10-3-11-26-53)47-63(50-67)54-27-12-4-13-28-54)66-34-19-30-57(48-66)56-29-18-31-58(43-56)68-36-20-38-71-72(68)69-35-16-17-37-70(69)74(71)64-32-14-5-15-33-64/h1-50H
InChIKeyFBQWFFUFOCELJV-UHFFFAOYSA-N
MW943.21 g/mol
LogP19.92
Rot. Bonds11

About N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline

N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline (PubChem CID 167195663) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
PubChem CID167195663
Molecular FormulaC72H50N2
Molecular Weight943.21 g/mol
Exact Mass942.40
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)cc1
InChIInChI=1S/C72H50N2/c1-6-21-51(22-7-1)59-44-60(52-23-8-2-9-24-52)46-61(45-59)55-39-41-65(42-40-55)73(67-49-62(53-25-10-3-11-26-53)47-63(50-67)54-27-12-4-13-28-54)66-34-19-30-57(48-66)56-29-18-31-58(43-56)68-36-20-38-71-72(68)69-35-16-17-37-70(69)74(71)64-32-14-5-15-33-64/h1-50H
InChIKeyFBQWFFUFOCELJV-UHFFFAOYSA-N
XLogP19.92
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.21
LogP ≤ 519.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(9-phenylcarbazol-4-yl)phenyl]-N-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 166660208
3-[3-(9-phenylcarbazol-4-yl)phenyl]-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 167196004
3-phenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 166660552
3-[3-(4-carbazol-9-ylphenyl)phenyl]-N,N-diphenyl-5-(9-phenylcarbazol-4-yl)aniline
CID 144888422
3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166660074
3-(3,5-diphenylphenyl)-N-[4-[3-naphthalen-1-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-5-phenyl-N-(3-phenylphenyl)aniline
CID 176878077
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[3-(9-phenylcarbazol-4-yl)phenyl]benzene-1,3-diamine
CID 177275916
5,9-diphenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(3-phenylphenyl)carbazol-2-amine
CID 169009961
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline (CID 167195663) is N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline?
The InChIKey is FBQWFFUFOCELJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-6-21-51(22-7-1)59-44-60(52-23-8-2-9-24-52)46-61(45-59)55-39-41-65(42-40-55)73(67-49-62(53-25-10-3-11-26-53)47-63(50-67)54-27-12-4-13-28-54)66-34-19-30-57(48-66)56-29-18-31-58(43-56)68-36-20-38-71-72(68)69-35-16-17-37-70(69)74(71)64-32-14-5-15-33-64/h1-50H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline?
N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline has a molecular weight of 943.21 g/mol, XLogP of 19.92, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-3,5-diphenyl-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 167195663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).