N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline

C60H42N2 — CID 118103160

IUPACN,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C60H42N2/c1-5-19-43(20-6-1)46-25-17-30-53(38-46)62-59-34-16-15-33-57(59)58-42-48(35-36-60(58)62)56-32-14-13-31-55(56)47-26-18-29-52(39-47)61(51-27-11-4-12-28-51)54-40-49(44-21-7-2-8-22-44)37-50(41-54)45-23-9-3-10-24-45/h1-42H
InChIKeyIOJNSFNZULEGAK-UHFFFAOYSA-N
MW791.01 g/mol
LogP16.59
Rot. Bonds9

About N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline

N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline (PubChem CID 118103160) has the molecular formula C60H42N2 and a molecular weight of 791.01 g/mol. Its IUPAC name is N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
PubChem CID118103160
Molecular FormulaC60H42N2
Molecular Weight791.01 g/mol
Exact Mass790.33
IUPAC NameN,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C60H42N2/c1-5-19-43(20-6-1)46-25-17-30-53(38-46)62-59-34-16-15-33-57(59)58-42-48(35-36-60(58)62)56-32-14-13-31-55(56)47-26-18-29-52(39-47)61(51-27-11-4-12-28-51)54-40-49(44-21-7-2-8-22-44)37-50(41-54)45-23-9-3-10-24-45/h1-42H
InChIKeyIOJNSFNZULEGAK-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
3-(3-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)aniline;3-(3-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(3,5-diphenylphenyl)-3,5-diphenylaniline;3-(3-carbazol-9-ylphenyl)-N-phenyl-N-(4-phenylphenyl)aniline;N-[3-(3-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159462354
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
CID 90215101
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118337352
3-[2-[9-[3-naphthalen-1-yl-5-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118087718
3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
2-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;N-phenyl-3-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159658114
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[2-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 161346231
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787

Frequently Asked Questions

What is the IUPAC name of N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
The IUPAC name of N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline (CID 118103160) is N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
The canonical SMILES for N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3cccc(-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
The InChIKey is IOJNSFNZULEGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N2/c1-5-19-43(20-6-1)46-25-17-30-53(38-46)62-59-34-16-15-33-57(59)58-42-48(35-36-60(58)62)56-32-14-13-31-55(56)47-26-18-29-52(39-47)61(51-27-11-4-12-28-51)54-40-49(44-21-7-2-8-22-44)37-50(41-54)45-23-9-3-10-24-45/h1-42H.
What are the key properties of N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline?
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline has a molecular weight of 791.01 g/mol, XLogP of 16.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 118103160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).