8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine

C30H24N2 — CID 130250021

IUPAC8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine
SMILESC1=C2CC(C(Nc3ccc(-c4ccccc4)cc3)=C1)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C30H24N2/c1-3-9-22(10-4-1)23-15-18-25(19-16-23)31-28-20-17-24-21-30(28)32(26-11-5-2-6-12-26)29-14-8-7-13-27(24)29/h1-20,30-31H,21H2
InChIKeyZUAORCRGLJMWDV-UHFFFAOYSA-N
MW412.54 g/mol
LogP7.66
Rot. Bonds4

About 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine

8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine (PubChem CID 130250021) has the molecular formula C30H24N2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine.

Molecular Properties

Compound Name8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine
PubChem CID130250021
Molecular FormulaC30H24N2
Molecular Weight412.54 g/mol
Exact Mass412.19
IUPAC Name8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine
SMILESC1=C2CC(C(Nc3ccc(-c4ccccc4)cc3)=C1)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C30H24N2/c1-3-9-22(10-4-1)23-15-18-25(19-16-23)31-28-20-17-24-21-30(28)32(26-11-5-2-6-12-26)29-14-8-7-13-27(24)29/h1-20,30-31H,21H2
InChIKeyZUAORCRGLJMWDV-UHFFFAOYSA-N
XLogP7.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine?
The IUPAC name of 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine (CID 130250021) is 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine.
What is the SMILES notation for 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine?
The canonical SMILES for 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine is C1=C2CC(C(Nc3ccc(-c4ccccc4)cc3)=C1)N(c1ccccc1)c1ccccc12.
What is the InChIKey of 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine?
The InChIKey is ZUAORCRGLJMWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2/c1-3-9-22(10-4-1)23-15-18-25(19-16-23)31-28-20-17-24-21-30(28)32(26-11-5-2-6-12-26)29-14-8-7-13-27(24)29/h1-20,30-31H,21H2.
What are the key properties of 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine?
8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine has a molecular weight of 412.54 g/mol, XLogP of 7.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-N-(4-phenylphenyl)-8-azatricyclo[7.3.1.02,7]trideca-1(12),2,4,6,10-pentaen-10-amine is sourced from PubChem (CID 130250021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).