10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide

C33H30N2O — CID 3852950

IUPAC10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C1C3CCC(C3)C1C(c1ccccc1)N2
InChIInChI=1S/C33H30N2O/c36-33(35-28-14-8-7-13-26(28)21-9-3-1-4-10-21)25-17-18-29-27(20-25)30-23-15-16-24(19-23)31(30)32(34-29)22-11-5-2-6-12-22/h1-14,17-18,20,23-24,30-32,34H,15-16,19H2,(H,35,36)
InChIKeyZOOHUUPZPXNWDA-UHFFFAOYSA-N
MW470.62 g/mol
LogP7.90
Rot. Bonds4

About 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide

10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide (PubChem CID 3852950) has the molecular formula C33H30N2O and a molecular weight of 470.62 g/mol. Its IUPAC name is 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide.

Molecular Properties

Compound Name10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
PubChem CID3852950
Molecular FormulaC33H30N2O
Molecular Weight470.62 g/mol
Exact Mass470.24
IUPAC Name10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
SMILESO=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C1C3CCC(C3)C1C(c1ccccc1)N2
InChIInChI=1S/C33H30N2O/c36-33(35-28-14-8-7-13-26(28)21-9-3-1-4-10-21)25-17-18-29-27(20-25)30-23-15-16-24(19-23)31(30)32(34-29)22-11-5-2-6-12-22/h1-14,17-18,20,23-24,30-32,34H,15-16,19H2,(H,35,36)
InChIKeyZOOHUUPZPXNWDA-UHFFFAOYSA-N
XLogP7.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,10S,11R,12S)-N-(2-fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 1304411
(1S,2R,10S,11S,12S)-N-(2-bromophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126133914
(1S,2R,10R,11S,12S)-N-(2-fluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124719454
(1S,2R,10R,11R,12S)-N,10-diphenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124786220
(1S,2R,10S,11S,12S)-N,10-diphenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 99727248
(1S,2R,10R,11R,12S)-N-(2-methylsulfanylphenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126278187
(1S,2R,10R,11S,12S)-N-(2,3-dichlorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126273311
methyl 2-[[(1S,2R,10R,11R,12S)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carbonyl]amino]benzoate
CID 126120484
(1S,2R,10S,11R,12S)-N-(4-acetamidophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126178460
(1S,2R,10R,11R,12S)-N-cyclopropyl-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 124786976
(1S,2R,10S,11S,12S)-N-(2,6-difluorophenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126262339
(1S,2R,10S,11R,12S)-N-(4-chloro-2-methylphenyl)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide
CID 126185016

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
The IUPAC name of 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide (CID 3852950) is 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide.
What is the SMILES notation for 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
The canonical SMILES for 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide is O=C(Nc1ccccc1-c1ccccc1)c1ccc2c(c1)C1C3CCC(C3)C1C(c1ccccc1)N2.
What is the InChIKey of 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
The InChIKey is ZOOHUUPZPXNWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O/c36-33(35-28-14-8-7-13-26(28)21-9-3-1-4-10-21)25-17-18-29-27(20-25)30-23-15-16-24(19-23)31(30)32(34-29)22-11-5-2-6-12-22/h1-14,17-18,20,23-24,30-32,34H,15-16,19H2,(H,35,36).
What are the key properties of 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide?
10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide has a molecular weight of 470.62 g/mol, XLogP of 7.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-N-(2-phenylphenyl)-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-5-carboxamide is sourced from PubChem (CID 3852950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).