8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

C35H23N3 — CID 122493116

IUPAC8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1ccc(-c2nc3cccc4c3n2-c2ccccc2N4c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C35H23N3/c1-2-10-26(11-3-1)35-36-30-13-8-16-33-34(30)38(35)32-15-7-6-14-31(32)37(33)29-21-19-25(20-22-29)28-18-17-24-9-4-5-12-27(24)23-28/h1-23H
InChIKeyZNEQIVFCIKPUHK-UHFFFAOYSA-N
MW485.59 g/mol
LogP9.30
Rot. Bonds3

About 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene

8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 122493116) has the molecular formula C35H23N3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.

Molecular Properties

Compound Name8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID122493116
Molecular FormulaC35H23N3
Molecular Weight485.59 g/mol
Exact Mass485.19
IUPAC Name8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1ccc(-c2nc3cccc4c3n2-c2ccccc2N4c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C35H23N3/c1-2-10-26(11-3-1)35-36-30-13-8-16-33-34(30)38(35)32-15-7-6-14-31(32)37(33)29-21-19-25(20-22-29)28-18-17-24-9-4-5-12-27(24)23-28/h1-23H
InChIKeyZNEQIVFCIKPUHK-UHFFFAOYSA-N
XLogP9.30
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The IUPAC name of 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 122493116) is 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene.
What is the SMILES notation for 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The canonical SMILES for 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is c1ccc(-c2nc3cccc4c3n2-c2ccccc2N4c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
The InChIKey is ZNEQIVFCIKPUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N3/c1-2-10-26(11-3-1)35-36-30-13-8-16-33-34(30)38(35)32-15-7-6-14-31(32)37(33)29-21-19-25(20-22-29)28-18-17-24-9-4-5-12-27(24)23-28/h1-23H.
What are the key properties of 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene has a molecular weight of 485.59 g/mol, XLogP of 9.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is sourced from PubChem (CID 122493116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).