6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine

C32H26N2 — CID 86226207

IUPAC6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
SMILESCN(c1ccccc1)c1cc2c3ccccc3c(N(C)c3ccccc3)cc2c2ccccc12
InChIInChI=1S/C32H26N2/c1-33(23-13-5-3-6-14-23)31-21-29-26-18-10-12-20-28(26)32(34(2)24-15-7-4-8-16-24)22-30(29)25-17-9-11-19-27(25)31/h3-22H,1-2H3
InChIKeyYSWARCWBNSGIIW-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.68
Rot. Bonds4

About 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine

6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine (PubChem CID 86226207) has the molecular formula C32H26N2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine.

Molecular Properties

Compound Name6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
PubChem CID86226207
Molecular FormulaC32H26N2
Molecular Weight438.57 g/mol
Exact Mass438.21
IUPAC Name6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
SMILESCN(c1ccccc1)c1cc2c3ccccc3c(N(C)c3ccccc3)cc2c2ccccc12
InChIInChI=1S/C32H26N2/c1-33(23-13-5-3-6-14-23)31-21-29-26-18-10-12-20-28(26)32(34(2)24-15-7-4-8-16-24)22-30(29)25-17-9-11-19-27(25)31/h3-22H,1-2H3
InChIKeyYSWARCWBNSGIIW-UHFFFAOYSA-N
XLogP8.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-phenylphenanthren-9-amine
CID 22944746
N-methyl-N-(4-phenylphenyl)chrysen-6-amine
CID 139546740
ethane;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 91063235
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
N-methyl-2-[2-(N-methylanilino)phenyl]-N-phenylaniline
CID 132560477
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 59793119
N-methyl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenanthren-9-amine
CID 59431534
6-N,12-N-bis(4-methylphenyl)-6-N-phenyl-12-N-(4-phenylphenyl)chrysene-6,12-diamine
CID 137470587
N,10-dimethyl-N-phenylcyclodeca-1,3,5,7,9-pentaen-1-amine
CID 135227535
6-N,12-N-bis(4-fluorophenyl)-6-N,12-N-diphenylchrysene-6,12-diamine
CID 58050655
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158981468
9-N,10-N,2-trimethyl-9-N,10-N-diphenylphenanthrene-9,10-diamine
CID 59806582

Frequently Asked Questions

What is the IUPAC name of 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?
The IUPAC name of 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine (CID 86226207) is 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine.
What is the SMILES notation for 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?
The canonical SMILES for 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine is CN(c1ccccc1)c1cc2c3ccccc3c(N(C)c3ccccc3)cc2c2ccccc12.
What is the InChIKey of 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?
The InChIKey is YSWARCWBNSGIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2/c1-33(23-13-5-3-6-14-23)31-21-29-26-18-10-12-20-28(26)32(34(2)24-15-7-4-8-16-24)22-30(29)25-17-9-11-19-27(25)31/h3-22H,1-2H3.
What are the key properties of 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine?
6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine has a molecular weight of 438.57 g/mol, XLogP of 8.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,12-N-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine is sourced from PubChem (CID 86226207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).