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

C37H25N3 — CID 135242455

IUPAC8-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc5cccc6c5n4-c4ccccc4N6c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H25N3/c1-3-10-26(11-4-1)27-18-20-28(21-19-27)29-22-24-30(25-23-29)37-38-32-14-9-17-35-36(32)40(37)34-16-8-7-15-33(34)39(35)31-12-5-2-6-13-31/h1-25H
InChIKeyBCLNEYMDKRPNQX-UHFFFAOYSA-N
MW511.63 g/mol
LogP9.81
Rot. Bonds4

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

8-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (PubChem CID 135242455) has the molecular formula C37H25N3 and a molecular weight of 511.63 g/mol. Its IUPAC name is 8-phenyl-15-[4-(4-phenylphenyl)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-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
PubChem CID135242455
Molecular FormulaC37H25N3
Molecular Weight511.63 g/mol
Exact Mass511.20
IUPAC Name8-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc5cccc6c5n4-c4ccccc4N6c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H25N3/c1-3-10-26(11-4-1)27-18-20-28(21-19-27)29-22-24-30(25-23-29)37-38-32-14-9-17-35-36(32)40(37)34-16-8-7-15-33(34)39(35)31-12-5-2-6-13-31/h1-25H
InChIKeyBCLNEYMDKRPNQX-UHFFFAOYSA-N
XLogP9.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.63
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-phenyl-15-[4-(4-phenylphenyl)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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Related Compounds

15-phenyl-8-[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493132
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
triphenyl-[4-(15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-yl)phenyl]silane
CID 140887729
5-bromo-8,15-diphenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene;5-(4-naphthalen-2-ylphenyl)-8,15-diphenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 161477263
15-(9,10-dinaphthalen-1-ylanthracen-2-yl)-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122492860
15-methyl-8-phenyl-5-(6-phenylnaphthalen-2-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122492700
[4-(15-methyl-8-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl)phenyl]-triphenylsilane
CID 140887746
8-(3-dibenzofuran-2-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 140703732
15-methyl-8-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122492677
9-(4-bromophenyl)carbazole;8-(4-carbazol-9-ylphenyl)-15-pyridin-4-yl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 159418146
15-methyl-8-phenyl-5-[10-phenyl-9-(3-phenylphenyl)anthracen-2-yl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene
CID 122492696
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516524

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-15-[4-(4-phenylphenyl)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-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene (CID 135242455) is 8-phenyl-15-[4-(4-phenylphenyl)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-phenyl-15-[4-(4-phenylphenyl)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-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene is c1ccc(-c2ccc(-c3ccc(-c4nc5cccc6c5n4-c4ccccc4N6c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 8-phenyl-15-[4-(4-phenylphenyl)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 BCLNEYMDKRPNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3/c1-3-10-26(11-4-1)27-18-20-28(21-19-27)29-22-24-30(25-23-29)37-38-32-14-9-17-35-36(32)40(37)34-16-8-7-15-33(34)39(35)31-12-5-2-6-13-31/h1-25H.
What are the key properties of 8-phenyl-15-[4-(4-phenylphenyl)phenyl]-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene?
8-phenyl-15-[4-(4-phenylphenyl)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 511.63 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-15-[4-(4-phenylphenyl)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 135242455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).