5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine

C33H30N2 — CID 139606547

IUPAC5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine
SMILESCc1cccc(Nc2cc(Nc3cccc(C)c3)cc(-c3ccccc3Cc3ccccc3)c2)c1
InChIInChI=1S/C33H30N2/c1-24-10-8-15-29(18-24)34-31-21-28(22-32(23-31)35-30-16-9-11-25(2)19-30)33-17-7-6-14-27(33)20-26-12-4-3-5-13-26/h3-19,21-23,34-35H,20H2,1-2H3
InChIKeyZCFXKXZJPUBQOB-UHFFFAOYSA-N
MW454.62 g/mol
LogP9.05
Rot. Bonds7

About 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine

5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine (PubChem CID 139606547) has the molecular formula C33H30N2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine
PubChem CID139606547
Molecular FormulaC33H30N2
Molecular Weight454.62 g/mol
Exact Mass454.24
IUPAC Name5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine
SMILESCc1cccc(Nc2cc(Nc3cccc(C)c3)cc(-c3ccccc3Cc3ccccc3)c2)c1
InChIInChI=1S/C33H30N2/c1-24-10-8-15-29(18-24)34-31-21-28(22-32(23-31)35-30-16-9-11-25(2)19-30)33-17-7-6-14-27(33)20-26-12-4-3-5-13-26/h3-19,21-23,34-35H,20H2,1-2H3
InChIKeyZCFXKXZJPUBQOB-UHFFFAOYSA-N
XLogP9.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 59.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-benzylphenyl)-1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)benzene-1,3-diamine
CID 139606546
1,1'-biphenyl;3-methyl-N-phenylaniline
CID 19838437
3-(2-benzylphenyl)-6-(3-methylphenyl)-1,2,4,5-tetrazine
CID 44594093
N-[4-(4-anilinophenyl)phenyl]-3-methylaniline
CID 90221896
3-N-(9,9-diphenylfluoren-2-yl)-1-N-(3-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 139380106
3-(2-benzylphenyl)-4-methyl-6-(3-methylphenyl)pyridazine
CID 70949341
3-[3-(3-methylanilino)phenyl]-N-(3-methylphenyl)-2,6-diphenylaniline
CID 70136715
2-N-(3-methylphenyl)-6-[(4-methylphenyl)methyl]-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 71095114
N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide
CID 139606567
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
2-benzyl-N'-(3-methylbenzoyl)benzohydrazide
CID 44594095
3-N-(3-naphthalen-1-ylphenyl)-1-N-phenylbenzene-1,3-diamine
CID 139380119

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine (CID 139606547) is 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine is Cc1cccc(Nc2cc(Nc3cccc(C)c3)cc(-c3ccccc3Cc3ccccc3)c2)c1.
What is the InChIKey of 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine?
The InChIKey is ZCFXKXZJPUBQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2/c1-24-10-8-15-29(18-24)34-31-21-28(22-32(23-31)35-30-16-9-11-25(2)19-30)33-17-7-6-14-27(33)20-26-12-4-3-5-13-26/h3-19,21-23,34-35H,20H2,1-2H3.
What are the key properties of 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine?
5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine has a molecular weight of 454.62 g/mol, XLogP of 9.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylphenyl)-1-N,3-N-bis(3-methylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 139606547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).