N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline

C26H22N2 — CID 126632601

IUPACN-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3C)cc1
InChIInChI=1S/C26H22N2/c1-27(21-8-4-3-5-9-21)22-15-12-19(13-16-22)20-14-17-26-24(18-20)23-10-6-7-11-25(23)28(26)2/h3-18H,1-2H3
InChIKeySDDLVVGRFBZPBI-UHFFFAOYSA-N
MW362.48 g/mol
LogP6.77
Rot. Bonds3

About N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline

N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline (PubChem CID 126632601) has the molecular formula C26H22N2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
PubChem CID126632601
Molecular FormulaC26H22N2
Molecular Weight362.48 g/mol
Exact Mass362.18
IUPAC NameN-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3C)cc1
InChIInChI=1S/C26H22N2/c1-27(21-8-4-3-5-9-21)22-15-12-19(13-16-22)20-14-17-26-24(18-20)23-10-6-7-11-25(23)28(26)2/h3-18H,1-2H3
InChIKeySDDLVVGRFBZPBI-UHFFFAOYSA-N
XLogP6.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;9-methylcarbazole;4-methyl-N,N-diphenylaniline;1-N,1-N,4-N-trimethyl-4-N-phenylbenzene-1,4-diamine
CID 160843476
N-(4-carbazol-9-ylphenyl)-4-(9-methylcarbazol-3-yl)-N-phenylaniline
CID 59501739
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
N-[4-(9-methylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631436
9-methyl-3-(9-methylcarbazol-2-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-phenylcarbazole;9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 157228450
4-N-[6-[6-[6-(4-amino-N-methylanilino)-9-methylcarbazol-3-yl]-9-methylcarbazol-3-yl]-9-methylcarbazol-3-yl]-4-N-methylbenzene-1,4-diamine
CID 142376867
3-carbazol-9-yl-9-methylcarbazole;4-carbazol-9-yl-N-methyl-N-phenylaniline;9-methyl-N,N-diphenylcarbazol-3-amine
CID 160890732
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
N-(4-isocyanophenyl)-N-methyl-9-phenylcarbazol-3-amine;N-methyl-N,9-diphenylcarbazol-3-amine;N-methyl-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 165110598

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline?
The IUPAC name of N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline (CID 126632601) is N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline.
What is the SMILES notation for N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline?
The canonical SMILES for N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline is CN(c1ccccc1)c1ccc(-c2ccc3c(c2)c2ccccc2n3C)cc1.
What is the InChIKey of N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline?
The InChIKey is SDDLVVGRFBZPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2/c1-27(21-8-4-3-5-9-21)22-15-12-19(13-16-22)20-14-17-26-24(18-20)23-10-6-7-11-25(23)28(26)2/h3-18H,1-2H3.
What are the key properties of N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline?
N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline has a molecular weight of 362.48 g/mol, XLogP of 6.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(9-methylcarbazol-3-yl)-N-phenylaniline is sourced from PubChem (CID 126632601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).