15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene

C32H23N3 — CID 144995351

IUPAC15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene
SMILESc1ccc(-c2ccc(N3c4ccccc4C4=NC(c5ccccc5)Nc5cccc3c54)cc2)cc1
InChIInChI=1S/C32H23N3/c1-3-10-22(11-4-1)23-18-20-25(21-19-23)35-28-16-8-7-14-26(28)31-30-27(15-9-17-29(30)35)33-32(34-31)24-12-5-2-6-13-24/h1-21,32-33H
InChIKeyGEGXAEKQHDOUPP-UHFFFAOYSA-N
MW449.56 g/mol
LogP8.10
Rot. Bonds3

About 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene

15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene (PubChem CID 144995351) has the molecular formula C32H23N3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene.

Molecular Properties

Compound Name15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene
PubChem CID144995351
Molecular FormulaC32H23N3
Molecular Weight449.56 g/mol
Exact Mass449.19
IUPAC Name15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene
SMILESc1ccc(-c2ccc(N3c4ccccc4C4=NC(c5ccccc5)Nc5cccc3c54)cc2)cc1
InChIInChI=1S/C32H23N3/c1-3-10-22(11-4-1)23-18-20-25(21-19-23)35-28-16-8-7-14-26(28)31-30-27(15-9-17-29(30)35)33-32(34-31)24-12-5-2-6-13-24/h1-21,32-33H
InChIKeyGEGXAEKQHDOUPP-UHFFFAOYSA-N
XLogP8.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_666_A(5)', 'substructure': 'N/A'}

Analyze 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene with MolForge

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Related Compounds

5-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 136941858
4-naphthalen-2-yl-2-[4-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)phenyl]-1,2-dihydroquinazoline
CID 145202401
5-[4-[4-(4-phenylphenyl)-1,2-dihydroquinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 139307553
2-(4-nitrophenyl)-4-phenyl-1,2-dihydroquinazoline
CID 132933614
14-[4-[4-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)phenyl]phenyl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;vanadium
CID 159673552
10-phenyl-3'-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217473
7-phenyl-5-[3-(4-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]indolo[2,3-b]carbazole
CID 163618341
2'-[4-[3-(2,6-diphenyl-1,2-dihydropyrimidin-4-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263708
10-phenyl-2'-[2-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 137217476
4-[3-[4-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-2-phenyl-1,2-dihydroquinazoline
CID 166914687
12-[3-(2-phenyl-1,2-dihydroquinazolin-4-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 130180366
2-[3-(9,9-dimethylthioxanthen-4-yl)phenyl]-4-(4-phenylphenyl)-1,2-dihydroquinazoline
CID 166908729

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene?
The IUPAC name of 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene (CID 144995351) is 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene.
What is the SMILES notation for 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene?
The canonical SMILES for 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene is c1ccc(-c2ccc(N3c4ccccc4C4=NC(c5ccccc5)Nc5cccc3c54)cc2)cc1.
What is the InChIKey of 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene?
The InChIKey is GEGXAEKQHDOUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3/c1-3-10-22(11-4-1)23-18-20-25(21-19-23)35-28-16-8-7-14-26(28)31-30-27(15-9-17-29(30)35)33-32(34-31)24-12-5-2-6-13-24/h1-21,32-33H.
What are the key properties of 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene?
15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene has a molecular weight of 449.56 g/mol, XLogP of 8.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-8-(4-phenylphenyl)-8,14,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene is sourced from PubChem (CID 144995351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).