4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole

C52H44N2 — CID 174951048

IUPAC4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole
SMILESc1ccc(Cc2ccc(Nc3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc3[nH]c4ccc(Cc5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C26H21N.C26H23N/c1-3-7-19(8-4-1)15-21-11-13-25-23(17-21)24-18-22(12-14-26(24)27-25)16-20-9-5-2-6-10-20;1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)27-26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-14,17-18,27H,15-16H2;1-18,27H,19-20H2
InChIKeyHHVPARDRUSQDPZ-UHFFFAOYSA-N
MW696.94 g/mol
LogP13.11
Rot. Bonds10

About 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole

4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole (PubChem CID 174951048) has the molecular formula C52H44N2 and a molecular weight of 696.94 g/mol. Its IUPAC name is 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole.

Molecular Properties

Compound Name4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole
PubChem CID174951048
Molecular FormulaC52H44N2
Molecular Weight696.94 g/mol
Exact Mass696.35
IUPAC Name4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole
SMILESc1ccc(Cc2ccc(Nc3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc3[nH]c4ccc(Cc5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C26H21N.C26H23N/c1-3-7-19(8-4-1)15-21-11-13-25-23(17-21)24-18-22(12-14-26(24)27-25)16-20-9-5-2-6-10-20;1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)27-26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-14,17-18,27H,15-16H2;1-18,27H,19-20H2
InChIKeyHHVPARDRUSQDPZ-UHFFFAOYSA-N
XLogP13.11
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.94
LogP ≤ 513.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
3-[2-(9H-carbazol-3-yl)ethyl]-9H-carbazole
CID 123609825
5-benzyl-1,3-dihydrobenzimidazole-2-thione
CID 21269540
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
CID 162039964
9H-carbazol-3-ylmethanamine
CID 42281639
4-[(2,3-dimethyl-1H-indol-5-yl)methyl]-N-phenylbenzamide
CID 129206265
1-(5-benzyl-3-methyl-1H-indol-2-yl)butan-1-one;ethane
CID 143773476
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-3-(9H-carbazol-3-yl)urea
CID 118398507
N-(9H-carbazol-3-ylmethyl)-N-phenylaniline
CID 139544092

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole?
The IUPAC name of 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole (CID 174951048) is 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole.
What is the SMILES notation for 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole?
The canonical SMILES for 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole is c1ccc(Cc2ccc(Nc3ccc(Cc4ccccc4)cc3)cc2)cc1.c1ccc(Cc2ccc3[nH]c4ccc(Cc5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole?
The InChIKey is HHVPARDRUSQDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N.C26H23N/c1-3-7-19(8-4-1)15-21-11-13-25-23(17-21)24-18-22(12-14-26(24)27-25)16-20-9-5-2-6-10-20;1-3-7-21(8-4-1)19-23-11-15-25(16-12-23)27-26-17-13-24(14-18-26)20-22-9-5-2-6-10-22/h1-14,17-18,27H,15-16H2;1-18,27H,19-20H2.
What are the key properties of 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole?
4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole has a molecular weight of 696.94 g/mol, XLogP of 13.11, 10 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole is sourced from PubChem (CID 174951048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).