N,N-bis(3-methylphenyl)chrysen-6-amine

C32H25N — CID 23520689

IUPACN,N-bis(3-methylphenyl)chrysen-6-amine
SMILESCc1cccc(N(c2cccc(C)c2)c2cc3c4ccccc4ccc3c3ccccc23)c1
InChIInChI=1S/C32H25N/c1-22-9-7-12-25(19-22)33(26-13-8-10-23(2)20-26)32-21-31-27-14-4-3-11-24(27)17-18-29(31)28-15-5-6-16-30(28)32/h3-21H,1-2H3
InChIKeyVAADPBUJEATYAU-UHFFFAOYSA-N
MW423.56 g/mol
LogP9.23
Rot. Bonds3

About N,N-bis(3-methylphenyl)chrysen-6-amine

N,N-bis(3-methylphenyl)chrysen-6-amine (PubChem CID 23520689) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is N,N-bis(3-methylphenyl)chrysen-6-amine.

Molecular Properties

Compound NameN,N-bis(3-methylphenyl)chrysen-6-amine
PubChem CID23520689
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC NameN,N-bis(3-methylphenyl)chrysen-6-amine
SMILESCc1cccc(N(c2cccc(C)c2)c2cc3c4ccccc4ccc3c3ccccc23)c1
InChIInChI=1S/C32H25N/c1-22-9-7-12-25(19-22)33(26-13-8-10-23(2)20-26)32-21-31-27-14-4-3-11-24(27)17-18-29(31)28-15-5-6-16-30(28)32/h3-21H,1-2H3
InChIKeyVAADPBUJEATYAU-UHFFFAOYSA-N
XLogP9.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-N-phenanthren-2-ylphenanthren-1-amine
CID 140898016
N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 158655750
N-(3-methylphenyl)-N-phenanthren-9-ylphenanthren-4-amine
CID 140898012
N-(3-methylphenyl)-N-phenanthren-3-ylphenanthren-2-amine
CID 140898025
6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158234025
N,N-bis(3-methylphenyl)-1-naphthalen-1-ylnaphthalen-2-amine
CID 164774001
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-(3-phenylphenyl)-N-(4-phenylphenyl)chrysen-6-amine
CID 170135249
1-N,1-N,3-N,3-N-tetrakis(3-methylphenyl)naphthalene-1,3-diamine
CID 18941763
2-methyl-6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 59793119
N-(4-methylphenyl)-N-phenylphenanthren-1-amine
CID 140898022
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylphenyl)chrysen-6-amine?
The IUPAC name of N,N-bis(3-methylphenyl)chrysen-6-amine (CID 23520689) is N,N-bis(3-methylphenyl)chrysen-6-amine.
What is the SMILES notation for N,N-bis(3-methylphenyl)chrysen-6-amine?
The canonical SMILES for N,N-bis(3-methylphenyl)chrysen-6-amine is Cc1cccc(N(c2cccc(C)c2)c2cc3c4ccccc4ccc3c3ccccc23)c1.
What is the InChIKey of N,N-bis(3-methylphenyl)chrysen-6-amine?
The InChIKey is VAADPBUJEATYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-22-9-7-12-25(19-22)33(26-13-8-10-23(2)20-26)32-21-31-27-14-4-3-11-24(27)17-18-29(31)28-15-5-6-16-30(28)32/h3-21H,1-2H3.
What are the key properties of N,N-bis(3-methylphenyl)chrysen-6-amine?
N,N-bis(3-methylphenyl)chrysen-6-amine has a molecular weight of 423.56 g/mol, XLogP of 9.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylphenyl)chrysen-6-amine is sourced from PubChem (CID 23520689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).