N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline

C33H28N2 — CID 71107984

IUPACN-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1C
InChIInChI=1S/C33H28N2/c1-23-10-4-5-11-28(23)29-21-20-27(22-24(29)2)34(3)25-16-18-26(19-17-25)35-32-14-8-6-12-30(32)31-13-7-9-15-33(31)35/h4-22H,1-3H3
InChIKeyQMDXCPGBGUDHRT-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.84
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline

N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline (PubChem CID 71107984) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline
PubChem CID71107984
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC NameN-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline
SMILESCc1ccccc1-c1ccc(N(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1C
InChIInChI=1S/C33H28N2/c1-23-10-4-5-11-28(23)29-21-20-27(22-24(29)2)34(3)25-16-18-26(19-17-25)35-32-14-8-6-12-30(32)31-13-7-9-15-33(31)35/h4-22H,1-3H3
InChIKeyQMDXCPGBGUDHRT-UHFFFAOYSA-N
XLogP8.84
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(N-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]anilino)-2-methylphenyl]-3-methyl-N,N-diphenylaniline
CID 163810192
N-methyl-N-(4-methylphenyl)-9-phenylcarbazol-3-amine
CID 58903567
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,9,9-trimethylfluoren-2-amine
CID 58903663
N-[3-(4-carbazol-9-ylphenyl)phenyl]-3-methyl-4-(2-methylphenyl)-N-(4-phenylphenyl)aniline;1-methylnaphthalene
CID 145407645
3-carbazol-9-yl-N-methyl-N-phenylaniline
CID 59211086
benzene;9,9-dimethylfluorene;N,3,5-trimethyl-4-[9-(4-methylphenyl)carbazol-3-yl]-N-(4-phenylphenyl)aniline
CID 144519749
9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-(3-carbazol-9-ylphenyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 158559186
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine
CID 58903596
9-(3-methyl-4-phenylphenyl)carbazole
CID 138667631
N-[4-[4-(4-carbazol-9-ylphenyl)-2,5-dimethylphenyl]phenyl]-2-(2-methylphenyl)aniline
CID 118033701
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 118888312
9-[4-[4-[2,6-bis(2-methylphenyl)pyrimidin-4-yl]-3-methylphenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 126730654

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline (CID 71107984) is N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline is Cc1ccccc1-c1ccc(N(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1C.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline?
The InChIKey is QMDXCPGBGUDHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-23-10-4-5-11-28(23)29-21-20-27(22-24(29)2)34(3)25-16-18-26(19-17-25)35-32-14-8-6-12-30(32)31-13-7-9-15-33(31)35/h4-22H,1-3H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline?
N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline has a molecular weight of 452.60 g/mol, XLogP of 8.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline is sourced from PubChem (CID 71107984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).