4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine

C37H32N2 — CID 71210599

IUPAC4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc(C)c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc3c2)cc1
InChIInChI=1S/C37H32N2/c1-27-14-19-33(20-15-27)38(31-10-6-4-7-11-31)35-23-18-30-25-36(24-29(3)37(30)26-35)39(32-12-8-5-9-13-32)34-21-16-28(2)17-22-34/h4-26H,1-3H3
InChIKeyWFNHSQHDDJKUHK-UHFFFAOYSA-N
MW504.68 g/mol
LogP10.70
Rot. Bonds6

About 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine

4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine (PubChem CID 71210599) has the molecular formula C37H32N2 and a molecular weight of 504.68 g/mol. Its IUPAC name is 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine.

Molecular Properties

Compound Name4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine
PubChem CID71210599
Molecular FormulaC37H32N2
Molecular Weight504.68 g/mol
Exact Mass504.26
IUPAC Name4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine
SMILESCc1ccc(N(c2ccccc2)c2cc(C)c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc3c2)cc1
InChIInChI=1S/C37H32N2/c1-27-14-19-33(20-15-27)38(31-10-6-4-7-11-31)35-23-18-30-25-36(24-29(3)37(30)26-35)39(32-12-8-5-9-13-32)34-21-16-28(2)17-22-34/h4-26H,1-3H3
InChIKeyWFNHSQHDDJKUHK-UHFFFAOYSA-N
XLogP10.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.68
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754908
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenyltriphenylene-2,6-diamine
CID 20733869
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
2-N,7-N,7-N-triphenyl-2-N-[4-[4-(N-[7-(N-phenylanilino)phenanthren-2-yl]anilino)phenyl]phenyl]phenanthrene-2,7-diamine
CID 59754854
1-N-[4-[4-(4-methylanilino)-N-phenanthren-2-ylanilino]phenyl]-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121338013
7,14-bis(4-methylphenyl)-3-N,10-N-dinaphthalen-2-yl-3-N,10-N-diphenylnaphtho[1,2-b]phenanthrene-3,10-diamine
CID 118912626
9-(4-methylphenyl)-2-N,6-N-dinaphthalen-2-yl-2-N,6-N,10-triphenylanthracene-2,6-diamine
CID 59766271
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
2-N,7-N-diphenyl-7-N-(4-phenylphenyl)-2-N-[7-(N-(4-phenylphenyl)anilino)phenanthren-2-yl]phenanthrene-2,7-diamine
CID 59754872
8-N,23-N-diphenyl-8-N,23-N-bis(3,4,5-trimethylphenyl)-3,28-dithiaheptacyclo[15.11.0.02,14.04,13.05,10.018,27.021,26]octacosa-1(17),2(14),4(13),5(10),6,8,11,15,18(27),19,21(26),22,24-tridecaene-8,23-diamine
CID 155359707
4-methyl-6-N-(9-methyl-9H-fluoren-2-yl)-6-N-[4-(N-(2-methylphenyl)anilino)phenyl]-2-N,2-N-diphenylnaphthalene-2,6-diamine
CID 163909242

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine?
The IUPAC name of 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine (CID 71210599) is 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine.
What is the SMILES notation for 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine?
The canonical SMILES for 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine is Cc1ccc(N(c2ccccc2)c2cc(C)c3cc(N(c4ccccc4)c4ccc(C)cc4)ccc3c2)cc1.
What is the InChIKey of 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine?
The InChIKey is WFNHSQHDDJKUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2/c1-27-14-19-33(20-15-27)38(31-10-6-4-7-11-31)35-23-18-30-25-36(24-29(3)37(30)26-35)39(32-12-8-5-9-13-32)34-21-16-28(2)17-22-34/h4-26H,1-3H3.
What are the key properties of 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine?
4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine has a molecular weight of 504.68 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N,6-N-bis(4-methylphenyl)-2-N,6-N-diphenylnaphthalene-2,6-diamine is sourced from PubChem (CID 71210599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).