1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine

C49H37N3 — CID 144831047

IUPAC1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1-c1ccccc1
InChIInChI=1S/C49H37N3/c1-50(38-30-32-42(33-31-38)51(39-19-8-3-9-20-39)40-21-10-4-11-22-40)47-28-16-26-43(49(47)36-17-6-2-7-18-36)37-29-34-45-44-25-14-15-27-46(44)52(48(45)35-37)41-23-12-5-13-24-41/h2-35H,1H3
InChIKeyLPHLBTRMFUDXTK-UHFFFAOYSA-N
MW667.86 g/mol
LogP13.36
Rot. Bonds8

About 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine

1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine (PubChem CID 144831047) has the molecular formula C49H37N3 and a molecular weight of 667.86 g/mol. Its IUPAC name is 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine
PubChem CID144831047
Molecular FormulaC49H37N3
Molecular Weight667.86 g/mol
Exact Mass667.30
IUPAC Name1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine
SMILESCN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1-c1ccccc1
InChIInChI=1S/C49H37N3/c1-50(38-30-32-42(33-31-38)51(39-19-8-3-9-20-39)40-21-10-4-11-22-40)47-28-16-26-43(49(47)36-17-6-2-7-18-36)37-29-34-45-44-25-14-15-27-46(44)52(48(45)35-37)41-23-12-5-13-24-41/h2-35H,1H3
InChIKeyLPHLBTRMFUDXTK-UHFFFAOYSA-N
XLogP13.36
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.86
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-[2-[2-(N-methyl-4-phenylanilino)phenyl]carbazol-9-yl]phenyl]benzene-1,2,3,4,5-pentol
CID 170360872
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
ethane;N-phenyl-5-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 143813910
4-[2-(6,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337175
N-methyl-N,2-diphenyl-3-[4-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-9-yl]phenyl]aniline
CID 139455521
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
4-[2-(7,9-diphenylcarbazol-2-yl)phenyl]-N,N-diphenylaniline
CID 118337160
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501079
3-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-N-methyl-N,2-diphenylaniline
CID 139455606
9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788688

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine (CID 144831047) is 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine is CN(c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cccc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c1-c1ccccc1.
What is the InChIKey of 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine?
The InChIKey is LPHLBTRMFUDXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N3/c1-50(38-30-32-42(33-31-38)51(39-19-8-3-9-20-39)40-21-10-4-11-22-40)47-28-16-26-43(49(47)36-17-6-2-7-18-36)37-29-34-45-44-25-14-15-27-46(44)52(48(45)35-37)41-23-12-5-13-24-41/h2-35H,1H3.
What are the key properties of 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine?
1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine has a molecular weight of 667.86 g/mol, XLogP of 13.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N,4-N-diphenyl-1-N-[2-phenyl-3-(9-phenylcarbazol-2-yl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 144831047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).