4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline

C48H34N2 — CID 118337175

IUPAC4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H34N2/c1-5-15-35(16-6-1)37-28-32-47-46(33-37)45-31-27-38(34-48(45)50(47)41-21-11-4-12-22-41)44-24-14-13-23-43(44)36-25-29-42(30-26-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-34H
InChIKeyKYDQNGMJQZXPGE-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

About 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline

4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (PubChem CID 118337175) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
PubChem CID118337175
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
SMILESc1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H34N2/c1-5-15-35(16-6-1)37-28-32-47-46(33-37)45-31-27-38(34-48(45)50(47)41-21-11-4-12-22-41)44-24-14-13-23-43(44)36-25-29-42(30-26-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-34H
InChIKeyKYDQNGMJQZXPGE-UHFFFAOYSA-N
XLogP13.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N,4-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 89213030
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501726
N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;N-[4-(3,5-diphenylphenyl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159476241
3-N-(6,9-diphenylcarbazol-2-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275802
4-(4-carbazol-9-ylphenyl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 158069422
4-(9-phenylcarbazol-2-yl)-N,N-bis[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-1-amine;4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158955630
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline
CID 158286296
N-phenyl-4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]-N-[4-(3-phenylquinoxalin-2-yl)phenyl]aniline
CID 59489448
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)carbazol-2-amine
CID 118155144
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline (CID 118337175) is 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is c1ccc(-c2ccc3c(c2)c2ccc(-c4ccccc4-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is KYDQNGMJQZXPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-5-15-35(16-6-1)37-28-32-47-46(33-37)45-31-27-38(34-48(45)50(47)41-21-11-4-12-22-41)44-24-14-13-23-43(44)36-25-29-42(30-26-36)49(39-17-7-2-8-18-39)40-19-9-3-10-20-40/h1-34H.
What are the key properties of 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline?
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 638.81 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 118337175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).