5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine

C38H34N2O2 — CID 139606544

IUPAC5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine
SMILESCOc1ccc(N(c2cccc(C)c2)c2cc3cccc-3cc(N(c3ccc(OC)cc3)c3cccc(C)c3)c2)cc1
InChIInChI=1S/C38H34N2O2/c1-27-8-5-12-33(22-27)39(31-14-18-37(41-3)19-15-31)35-24-29-10-7-11-30(29)25-36(26-35)40(34-13-6-9-28(2)23-34)32-16-20-38(42-4)21-17-32/h5-26H,1-4H3
InChIKeyHSSGUDKZWYUUNQ-UHFFFAOYSA-N
MW550.70 g/mol
LogP10.37
Rot. Bonds8

About 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine

5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine (PubChem CID 139606544) 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(3-methylphenyl)azulene-5,7-diamine.

Molecular Properties

Compound Name5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine
PubChem CID139606544
Molecular FormulaC38H34N2O2
Molecular Weight550.70 g/mol
Exact Mass550.26
IUPAC Name5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine
SMILESCOc1ccc(N(c2cccc(C)c2)c2cc3cccc-3cc(N(c3ccc(OC)cc3)c3cccc(C)c3)c2)cc1
InChIInChI=1S/C38H34N2O2/c1-27-8-5-12-33(22-27)39(31-14-18-37(41-3)19-15-31)35-24-29-10-7-11-30(29)25-36(26-35)40(34-13-6-9-28(2)23-34)32-16-20-38(42-4)21-17-32/h5-26H,1-4H3
InChIKeyHSSGUDKZWYUUNQ-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(4-methylphenyl)azulene-5,7-diamine
CID 139606545
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-bis(4-methylphenyl)-5-phenylbenzene-1,3-diamine
CID 54275542
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 160743025
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
tris[4-(3-methoxy-N-(3-methoxyphenyl)anilino)phenyl]-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]boranuide
CID 158446549
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
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
N-[4-[4-[bis[4-[4-(3-methoxy-N-(3-methylphenyl)anilino)phenyl]phenyl]-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]methyl]phenyl]phenyl]-N-(3-methoxyphenyl)-3-methylaniline
CID 160641057
3-methoxy-N-(3-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 23399554
N-[4-(4-methylphenyl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine;1,3-xylene
CID 143269183

Frequently Asked Questions

What is the IUPAC name of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine?
The IUPAC name of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine (CID 139606544) is 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine.
What is the SMILES notation for 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine?
The canonical SMILES for 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine is COc1ccc(N(c2cccc(C)c2)c2cc3cccc-3cc(N(c3ccc(OC)cc3)c3cccc(C)c3)c2)cc1.
What is the InChIKey of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine?
The InChIKey is HSSGUDKZWYUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2O2/c1-27-8-5-12-33(22-27)39(31-14-18-37(41-3)19-15-31)35-24-29-10-7-11-30(29)25-36(26-35)40(34-13-6-9-28(2)23-34)32-16-20-38(42-4)21-17-32/h5-26H,1-4H3.
What are the key properties of 5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-methylphenyl)azulene-5,7-diamine?
5-N,7-N-bis(4-methoxyphenyl)-5-N,7-N-bis(3-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(3-methylphenyl)azulene-5,7-diamine is sourced from PubChem (CID 139606544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).