N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline

C66H46N2 — CID 90215101

IUPACN-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C66H46N2/c1-6-21-47(22-7-1)54-40-55(48-23-8-2-9-24-48)43-59(42-54)67(58-31-14-5-15-32-58)64-35-18-16-33-61(64)53-30-20-29-51(39-53)52-37-38-66-63(46-52)62-34-17-19-36-65(62)68(66)60-44-56(49-25-10-3-11-26-49)41-57(45-60)50-27-12-4-13-28-50/h1-46H
InChIKeyLYNNQXQBFURRKX-UHFFFAOYSA-N
MW867.11 g/mol
LogP18.26
Rot. Bonds10

About N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline

N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline (PubChem CID 90215101) has the molecular formula C66H46N2 and a molecular weight of 867.11 g/mol. Its IUPAC name is N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline.

Molecular Properties

Compound NameN-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
PubChem CID90215101
Molecular FormulaC66H46N2
Molecular Weight867.11 g/mol
Exact Mass866.37
IUPAC NameN-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C66H46N2/c1-6-21-47(22-7-1)54-40-55(48-23-8-2-9-24-48)43-59(42-54)67(58-31-14-5-15-32-58)64-35-18-16-33-61(64)53-30-20-29-51(39-53)52-37-38-66-63(46-52)62-34-17-19-36-65(62)68(66)60-44-56(49-25-10-3-11-26-49)41-57(45-60)50-27-12-4-13-28-50/h1-46H
InChIKeyLYNNQXQBFURRKX-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

2-[4-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118087664
N-[2-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 144844280
2-[3-(6,9-diphenylcarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-N,N-diphenylaniline
CID 118289340
N,3,5-triphenyl-N-[3-[2-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103160
N-[3-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 118087639
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
N-[3-[4-[9-[3,5-bis(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 118087617
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503183
3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
N-[4-(3-carbazol-9-yl-5-phenanthren-3-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 170271814
N-[2-[2-[9-[3,5-bis(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 118087714

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline?
The IUPAC name of N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline (CID 90215101) is N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline.
What is the SMILES notation for N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline?
The canonical SMILES for N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline?
The InChIKey is LYNNQXQBFURRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2/c1-6-21-47(22-7-1)54-40-55(48-23-8-2-9-24-48)43-59(42-54)67(58-31-14-5-15-32-58)64-35-18-16-33-61(64)53-30-20-29-51(39-53)52-37-38-66-63(46-52)62-34-17-19-36-65(62)68(66)60-44-56(49-25-10-3-11-26-49)41-57(45-60)50-27-12-4-13-28-50/h1-46H.
What are the key properties of N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline?
N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline 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-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3,5-triphenylaniline is sourced from PubChem (CID 90215101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).