5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine

C38H34N2O2 — CID 139606545

IUPAC5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cc3cccc-3cc(N(c3ccc(C)cc3)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C38H34N2O2/c1-27-8-12-31(13-9-27)39(33-16-20-37(41-3)21-17-33)35-24-29-6-5-7-30(29)25-36(26-35)40(32-14-10-28(2)11-15-32)34-18-22-38(42-4)23-19-34/h5-26H,1-4H3
InChIKeyUHWLJFSLVFPRFL-UHFFFAOYSA-N
MW550.70 g/mol
LogP10.37
Rot. Bonds8

About 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine

5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine (PubChem CID 139606545) has the molecular formula C38H34N2O2 and a molecular weight of 550.70 g/mol. Its IUPAC name is 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine.

Molecular Properties

Compound Name5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
PubChem CID139606545
Molecular FormulaC38H34N2O2
Molecular Weight550.70 g/mol
Exact Mass550.26
IUPAC Name5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine
SMILESCOc1ccc(N(c2ccc(C)cc2)c2cc3cccc-3cc(N(c3ccc(C)cc3)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C38H34N2O2/c1-27-8-12-31(13-9-27)39(33-16-20-37(41-3)21-17-33)35-24-29-6-5-7-30(29)25-36(26-35)40(32-14-10-28(2)11-15-32)34-18-22-38(42-4)23-19-34/h5-26H,1-4H3
InChIKeyUHWLJFSLVFPRFL-UHFFFAOYSA-N
XLogP10.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine
CID 139606544
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
1-N-(4-methylphenyl)-4-N-[4-[4-[3-(N-[4-(N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 22944759
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736

Frequently Asked Questions

What is the IUPAC name of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine?
The IUPAC name of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine (CID 139606545) is 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine.
What is the SMILES notation for 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine?
The canonical SMILES for 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine is COc1ccc(N(c2ccc(C)cc2)c2cc3cccc-3cc(N(c3ccc(C)cc3)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine?
The InChIKey is UHWLJFSLVFPRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O2/c1-27-8-12-31(13-9-27)39(33-16-20-37(41-3)21-17-33)35-24-29-6-5-7-30(29)25-36(26-35)40(32-14-10-28(2)11-15-32)34-18-22-38(42-4)23-19-34/h5-26H,1-4H3.
What are the key properties of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine?
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine has a molecular weight of 550.70 g/mol, XLogP of 10.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(4-methylphenyl)azulene-5,7-diamine is sourced from PubChem (CID 139606545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).