4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol

C33H31NO — CID 21480635

IUPAC4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(c2ccccc2-c2ccccc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C33H31NO/c35-33(31-17-9-4-12-25(31)24-10-2-1-3-11-24)18-20-34(21-19-33)23-32-22-28(26-13-5-7-15-29(26)32)27-14-6-8-16-30(27)32/h1-17,28,35H,18-23H2
InChIKeyQWTKWHVHNSOPPS-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.47
Rot. Bonds4

About 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol

4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (PubChem CID 21480635) has the molecular formula C33H31NO and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
PubChem CID21480635
Molecular FormulaC33H31NO
Molecular Weight457.62 g/mol
Exact Mass457.24
IUPAC Name4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(c2ccccc2-c2ccccc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C33H31NO/c35-33(31-17-9-4-12-25(31)24-10-2-1-3-11-24)18-20-34(21-19-33)23-32-22-28(26-13-5-7-15-29(26)32)27-14-6-8-16-30(27)32/h1-17,28,35H,18-23H2
InChIKeyQWTKWHVHNSOPPS-UHFFFAOYSA-N
XLogP6.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The IUPAC name of 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (CID 21480635) is 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol.
What is the SMILES notation for 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The canonical SMILES for 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is OC1(c2ccccc2-c2ccccc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
The InChIKey is QWTKWHVHNSOPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO/c35-33(31-17-9-4-12-25(31)24-10-2-1-3-11-24)18-20-34(21-19-33)23-32-22-28(26-13-5-7-15-29(26)32)27-14-6-8-16-30(27)32/h1-17,28,35H,18-23H2.
What are the key properties of 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol has a molecular weight of 457.62 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is sourced from PubChem (CID 21480635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).