7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine

C66H65N — CID 138572778

IUPAC7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc(C4CCCCC4)cc4c3ccc3c5cc(C6CCCCC6)cc(N(c6cc(C)cc(C)c6)c6cc(C)cc(C)c6)c5ccc43)c2)cc1
InChIInChI=1S/C66H65N/c1-42-17-21-50(22-18-42)52-35-53(51-23-19-43(2)20-24-51)37-56(36-52)63-38-54(48-13-9-7-10-14-48)39-64-59-27-28-62-65(60(59)25-26-61(63)64)40-55(49-15-11-8-12-16-49)41-66(62)67(57-31-44(3)29-45(4)32-57)58-33-46(5)30-47(6)34-58/h17-41,48-49H,7-16H2,1-6H3
InChIKeySBFWMFHTTBZMBS-UHFFFAOYSA-N
MW872.25 g/mol
LogP19.56
Rot. Bonds8

About 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine

7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine (PubChem CID 138572778) has the molecular formula C66H65N and a molecular weight of 872.25 g/mol. Its IUPAC name is 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine.

Molecular Properties

Compound Name7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine
PubChem CID138572778
Molecular FormulaC66H65N
Molecular Weight872.25 g/mol
Exact Mass871.51
IUPAC Name7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc(C4CCCCC4)cc4c3ccc3c5cc(C6CCCCC6)cc(N(c6cc(C)cc(C)c6)c6cc(C)cc(C)c6)c5ccc43)c2)cc1
InChIInChI=1S/C66H65N/c1-42-17-21-50(22-18-42)52-35-53(51-23-19-43(2)20-24-51)37-56(36-52)63-38-54(48-13-9-7-10-14-48)39-64-59-27-28-62-65(60(59)25-26-61(63)64)40-55(49-15-11-8-12-16-49)41-66(62)67(57-31-44(3)29-45(4)32-57)58-33-46(5)30-47(6)34-58/h17-41,48-49H,7-16H2,1-6H3
InChIKeySBFWMFHTTBZMBS-UHFFFAOYSA-N
XLogP19.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.25
LogP ≤ 519.56
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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Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine?
The IUPAC name of 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine (CID 138572778) is 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine.
What is the SMILES notation for 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine?
The canonical SMILES for 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine is Cc1ccc(-c2cc(-c3ccc(C)cc3)cc(-c3cc(C4CCCCC4)cc4c3ccc3c5cc(C6CCCCC6)cc(N(c6cc(C)cc(C)c6)c6cc(C)cc(C)c6)c5ccc43)c2)cc1.
What is the InChIKey of 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine?
The InChIKey is SBFWMFHTTBZMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H65N/c1-42-17-21-50(22-18-42)52-35-53(51-23-19-43(2)20-24-51)37-56(36-52)63-38-54(48-13-9-7-10-14-48)39-64-59-27-28-62-65(60(59)25-26-61(63)64)40-55(49-15-11-8-12-16-49)41-66(62)67(57-31-44(3)29-45(4)32-57)58-33-46(5)30-47(6)34-58/h17-41,48-49H,7-16H2,1-6H3.
What are the key properties of 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine?
7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine has a molecular weight of 872.25 g/mol, XLogP of 19.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-bis(4-methylphenyl)phenyl]-3,9-dicyclohexyl-N,N-bis(3,5-dimethylphenyl)chrysen-1-amine is sourced from PubChem (CID 138572778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).