4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline

C49H38N2 — CID 118686849

IUPAC4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1C=Cc2c(c3cc(-c4ccc(Nc5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)ccc3n2-c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C49H38N2/c1-34-17-29-48-45(31-34)46-33-41(23-30-49(46)51(48)43-26-20-38(21-27-43)36-13-7-3-8-14-36)40-22-28-47(44(32-40)39-15-9-4-10-16-39)50-42-24-18-37(19-25-42)35-11-5-2-6-12-35/h2-30,32-34,50H,31H2,1H3
InChIKeyXLQXRJPDIHRQMP-UHFFFAOYSA-N
MW654.86 g/mol
LogP13.25
Rot. Bonds7

About 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline

4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 118686849) has the molecular formula C49H38N2 and a molecular weight of 654.86 g/mol. Its IUPAC name is 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID118686849
Molecular FormulaC49H38N2
Molecular Weight654.86 g/mol
Exact Mass654.30
IUPAC Name4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESCC1C=Cc2c(c3cc(-c4ccc(Nc5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)ccc3n2-c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C49H38N2/c1-34-17-29-48-45(31-34)46-33-41(23-30-49(46)51(48)43-26-20-38(21-27-43)36-13-7-3-8-14-36)40-22-28-47(44(32-40)39-15-9-4-10-16-39)50-42-24-18-37(19-25-42)35-11-5-2-6-12-35/h2-30,32-34,50H,31H2,1H3
InChIKeyXLQXRJPDIHRQMP-UHFFFAOYSA-N
XLogP13.25
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.86
LogP ≤ 513.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-4-[6-methyl-9-(4-phenylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
CID 121261977
1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
9-[4-[4-(3,6-dimethyl-3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 144740109
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 118907856
9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163834153
N,2-diphenyl-4-[3-phenyl-4-[4-(4-phenylphenyl)anilino]phenyl]aniline
CID 121262444
9-[3-[6-[3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)phenyl]-1,8-diphenylphenanthren-3-yl]phenyl]-3,6-diphenylcarbazole
CID 89046059
9-(4-iodophenyl)-3-methyl-3,4-dihydrocarbazole
CID 145291042
N-[4-(7-methyl-7,8-dihydronaphthalen-1-yl)phenyl]-4-phenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 143813883
N-[4-(10H-cyclohepta[b]indol-5-yl)phenyl]-2-phenylaniline
CID 143650211
9-[4-[4-[9-[4-[4-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]fluoren-9-yl]phenyl]phenyl]carbazole
CID 138548370
N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163918921

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 118686849) is 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline is CC1C=Cc2c(c3cc(-c4ccc(Nc5ccc(-c6ccccc6)cc5)c(-c5ccccc5)c4)ccc3n2-c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is XLQXRJPDIHRQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2/c1-34-17-29-48-45(31-34)46-33-41(23-30-49(46)51(48)43-26-20-38(21-27-43)36-13-7-3-8-14-36)40-22-28-47(44(32-40)39-15-9-4-10-16-39)50-42-24-18-37(19-25-42)35-11-5-2-6-12-35/h2-30,32-34,50H,31H2,1H3.
What are the key properties of 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline?
4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 654.86 g/mol, XLogP of 13.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-9-(4-phenylphenyl)-5,6-dihydrocarbazol-3-yl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 118686849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).