N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline

C31H24N2 — CID 100915201

IUPACN-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C31H24N2/c1-23-10-9-13-27(22-23)32(24-11-3-2-4-12-24)25-18-20-26(21-19-25)33-30-16-7-5-14-28(30)29-15-6-8-17-31(29)33/h2-22H,1H3
InChIKeyYHTSYJKNWPCVGC-UHFFFAOYSA-N
MW424.55 g/mol
LogP8.56
Rot. Bonds4

About N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline (PubChem CID 100915201) has the molecular formula C31H24N2 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
PubChem CID100915201
Molecular FormulaC31H24N2
Molecular Weight424.55 g/mol
Exact Mass424.19
IUPAC NameN-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
SMILESCc1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1
InChIInChI=1S/C31H24N2/c1-23-10-9-13-27(22-23)32(24-11-3-2-4-12-24)25-18-20-26(21-19-25)33-30-16-7-5-14-28(30)29-15-6-8-17-31(29)33/h2-22H,1H3
InChIKeyYHTSYJKNWPCVGC-UHFFFAOYSA-N
XLogP8.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
ethane;9-[4-[10-(3-methylphenyl)anthracen-9-yl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 143301599
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
4-(4-carbazol-9-ylphenyl)-3-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]aniline
CID 67563877
4-[4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-carbazol-9-ylphenyl)-N-[4-[3-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]-5-(4-methylphenyl)phenyl]phenyl]aniline
CID 146331747
N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170092188
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N-(4-carbazol-9-ylphenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 121312722
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline (CID 100915201) is N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline is Cc1cccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline?
The InChIKey is YHTSYJKNWPCVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2/c1-23-10-9-13-27(22-23)32(24-11-3-2-4-12-24)25-18-20-26(21-19-25)33-30-16-7-5-14-28(30)29-15-6-8-17-31(29)33/h2-22H,1H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline has a molecular weight of 424.55 g/mol, XLogP of 8.56, 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)-3-methyl-N-phenylaniline is sourced from PubChem (CID 100915201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).