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

C33H31NO — CID 22413530

IUPAC4-(4-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C33H31NO/c35-33(26-16-14-25(15-17-26)24-8-2-1-3-9-24)18-20-34(21-19-33)23-32-22-29(27-10-4-6-12-30(27)32)28-11-5-7-13-31(28)32/h1-17,29,35H,18-23H2
InChIKeyRWRMVLSKIDRIQP-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.47
Rot. Bonds4

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

4-(4-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (PubChem CID 22413530) has the molecular formula C33H31NO and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-(4-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-(4-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
PubChem CID22413530
Molecular FormulaC33H31NO
Molecular Weight457.62 g/mol
Exact Mass457.24
IUPAC Name4-(4-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1
InChIInChI=1S/C33H31NO/c35-33(26-16-14-25(15-17-26)24-8-2-1-3-9-24)18-20-34(21-19-33)23-32-22-29(27-10-4-6-12-30(27)32)28-11-5-7-13-31(28)32/h1-17,29,35H,18-23H2
InChIKeyRWRMVLSKIDRIQP-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-(4-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-(4-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol (CID 22413530) is 4-(4-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-(4-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-(4-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol is OC1(c2ccc(-c3ccccc3)cc2)CCN(CC23CC(c4ccccc42)c2ccccc23)CC1.
What is the InChIKey of 4-(4-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 RWRMVLSKIDRIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO/c35-33(26-16-14-25(15-17-26)24-8-2-1-3-9-24)18-20-34(21-19-33)23-32-22-29(27-10-4-6-12-30(27)32)28-11-5-7-13-31(28)32/h1-17,29,35H,18-23H2.
What are the key properties of 4-(4-phenylphenyl)-1-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenylmethyl)piperidin-4-ol?
4-(4-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-(4-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 22413530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).