2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline

C50H38N2 — CID 121261977

IUPAC2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
SMILESCc1cccc(-c2cc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc(-c4ccccc4)cc3)ccc2Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C50H38N2/c1-34-10-9-15-42(30-34)45-32-40(21-27-48(45)51-43-23-17-38(18-24-43)36-11-5-3-6-12-36)41-22-29-50-47(33-41)46-31-35(2)16-28-49(46)52(50)44-25-19-39(20-26-44)37-13-7-4-8-14-37/h3-33,51H,1-2H3
InChIKeyZLYNMEDAWPARIW-UHFFFAOYSA-N
MW666.87 g/mol
LogP13.81
Rot. Bonds7

About 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline

2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline (PubChem CID 121261977) has the molecular formula C50H38N2 and a molecular weight of 666.87 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
PubChem CID121261977
Molecular FormulaC50H38N2
Molecular Weight666.87 g/mol
Exact Mass666.30
IUPAC Name2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
SMILESCc1cccc(-c2cc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc(-c4ccccc4)cc3)ccc2Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C50H38N2/c1-34-10-9-15-42(30-34)45-32-40(21-27-48(45)51-43-23-17-38(18-24-43)36-11-5-3-6-12-36)41-22-29-50-47(33-41)46-31-35(2)16-28-49(46)52(50)44-25-19-39(20-26-44)37-13-7-4-8-14-37/h3-33,51H,1-2H3
InChIKeyZLYNMEDAWPARIW-UHFFFAOYSA-N
XLogP13.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.87
LogP ≤ 513.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-6-[6-methyl-9-(3-methylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174182038
4-(4-anilinophenyl)-2-(3-methylphenyl)-N-phenylaniline
CID 67215708
4-methyl-2-[3-[3-[5-methyl-2-(4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118675145
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 160614579
9-(3-methylphenyl)-3,6-diphenylcarbazole;9-(3-methylphenyl)-3-phenylcarbazole;9-[3-(4-methylphenyl)phenyl]carbazole;9-[4-(3-methylphenyl)phenyl]carbazole;9-[4-(4-methylphenyl)phenyl]carbazole
CID 158304172
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
3-[9-[4-[3-(3-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-[3-(4-methylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 160753219
3,6-dimethyl-9-[4-[3-[3-(4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 118488392
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
3-[9-[4-(3-methyl-5-phenylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole;3-methyl-9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 157292241
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
5-carbazol-9-yl-2-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)aniline
CID 163631547

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline (CID 121261977) is 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline is Cc1cccc(-c2cc(-c3ccc4c(c3)c3cc(C)ccc3n4-c3ccc(-c4ccccc4)cc3)ccc2Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is ZLYNMEDAWPARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H38N2/c1-34-10-9-15-42(30-34)45-32-40(21-27-48(45)51-43-23-17-38(18-24-43)36-11-5-3-6-12-36)41-22-29-50-47(33-41)46-31-35(2)16-28-49(46)52(50)44-25-19-39(20-26-44)37-13-7-4-8-14-37/h3-33,51H,1-2H3.
What are the key properties of 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline?
2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 666.87 g/mol, XLogP of 13.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 121261977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).