4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine

C25H25N — CID 630916

IUPAC4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
SMILESc1ccc(C2CCCc3c2ncc2c3C(c3ccccc3)CCC2)cc1
InChIInChI=1S/C25H25N/c1-3-9-18(10-4-1)21-14-7-13-20-17-26-25-22(19-11-5-2-6-12-19)15-8-16-23(25)24(20)21/h1-6,9-12,17,21-22H,7-8,13-16H2
InChIKeyMUFFKHBYQJGQFZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP6.02
Rot. Bonds2

About 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine

4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine (PubChem CID 630916) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine.

Molecular Properties

Compound Name4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
PubChem CID630916
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine
SMILESc1ccc(C2CCCc3c2ncc2c3C(c3ccccc3)CCC2)cc1
InChIInChI=1S/C25H25N/c1-3-9-18(10-4-1)21-14-7-13-20-17-26-25-22(19-11-5-2-6-12-19)15-8-16-23(25)24(20)21/h1-6,9-12,17,21-22H,7-8,13-16H2
InChIKeyMUFFKHBYQJGQFZ-UHFFFAOYSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-methoxy-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine;pyrrolidine
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CID 14737119
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CID 76637688
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CID 58075463

Frequently Asked Questions

What is the IUPAC name of 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The IUPAC name of 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine (CID 630916) is 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine.
What is the SMILES notation for 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The canonical SMILES for 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine is c1ccc(C2CCCc3c2ncc2c3C(c3ccccc3)CCC2)cc1.
What is the InChIKey of 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
The InChIKey is MUFFKHBYQJGQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-3-9-18(10-4-1)21-14-7-13-20-17-26-25-22(19-11-5-2-6-12-19)15-8-16-23(25)24(20)21/h1-6,9-12,17,21-22H,7-8,13-16H2.
What are the key properties of 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine?
4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine has a molecular weight of 339.48 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-diphenyl-1,2,3,4,7,8,9,10-octahydrophenanthridine is sourced from PubChem (CID 630916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).