N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline

C48H34N2 — CID 118337481

IUPACN,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C48H34N2/c1-5-16-35(17-6-1)36-28-30-43(37-18-15-25-42(32-37)49(39-19-7-2-8-20-39)40-21-9-3-10-22-40)46(33-36)38-29-31-45-44-26-13-14-27-47(44)50(48(45)34-38)41-23-11-4-12-24-41/h1-34H
InChIKeyCTUBVYMEGORCAE-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.25
Rot. Bonds7

About N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline

N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 118337481) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
PubChem CID118337481
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC NameN,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1
InChIInChI=1S/C48H34N2/c1-5-16-35(17-6-1)36-28-30-43(37-18-15-25-42(32-37)49(39-19-7-2-8-20-39)40-21-9-3-10-22-40)46(33-36)38-29-31-45-44-26-13-14-27-47(44)50(48(45)34-38)41-23-11-4-12-24-41/h1-34H
InChIKeyCTUBVYMEGORCAE-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

3-[4-naphthalen-2-yl-2-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 126628031
3-[2-dibenzofuran-3-yl-4-(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 121443717
N,N-diphenyl-3-[3-(2-phenylcarbazol-9-yl)phenyl]aniline
CID 121312804
3-[2-[9-(3,5-diphenylphenyl)carbazol-2-yl]phenyl]-N,N-diphenylaniline
CID 118337352
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 164988539
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-fluorophenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 164832089
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The IUPAC name of N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 118337481) is N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline.
What is the SMILES notation for N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The canonical SMILES for N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccccc4)c4ccccc4)c3)c(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.
What is the InChIKey of N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
The InChIKey is CTUBVYMEGORCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-5-16-35(17-6-1)36-28-30-43(37-18-15-25-42(32-37)49(39-19-7-2-8-20-39)40-21-9-3-10-22-40)46(33-36)38-29-31-45-44-26-13-14-27-47(44)50(48(45)34-38)41-23-11-4-12-24-41/h1-34H.
What are the key properties of N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline?
N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline 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 N,N-diphenyl-3-[4-phenyl-2-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 118337481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).