4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

C34H22N4 — CID 146907438

IUPAC4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1ccc(-n2c3ccccc3c3nc4ccc(-c5ccc(-c6nccc7ccccc67)cc5)cn4c32)cc1
InChIInChI=1S/C34H22N4/c1-2-9-27(10-3-1)38-30-13-7-6-12-29(30)33-34(38)37-22-26(18-19-31(37)36-33)23-14-16-25(17-15-23)32-28-11-5-4-8-24(28)20-21-35-32/h1-22H
InChIKeyAAQGMVQMUVHWCQ-UHFFFAOYSA-N
MW486.58 g/mol
LogP8.31
Rot. Bonds3

About 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene

4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (PubChem CID 146907438) has the molecular formula C34H22N4 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.

Molecular Properties

Compound Name4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
PubChem CID146907438
Molecular FormulaC34H22N4
Molecular Weight486.58 g/mol
Exact Mass486.18
IUPAC Name4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
SMILESc1ccc(-n2c3ccccc3c3nc4ccc(-c5ccc(-c6nccc7ccccc67)cc5)cn4c32)cc1
InChIInChI=1S/C34H22N4/c1-2-9-27(10-3-1)38-30-13-7-6-12-29(30)33-34(38)37-22-26(18-19-31(37)36-33)23-14-16-25(17-15-23)32-28-11-5-4-8-24(28)20-21-35-32/h1-22H
InChIKeyAAQGMVQMUVHWCQ-UHFFFAOYSA-N
XLogP8.31
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene with MolForge

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Related Compounds

9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
16-[4-(2-phenylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 118458480
4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine
CID 151589765
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
(4-isoquinolin-1-ylphenyl)-phenoxy-phenylphosphane
CID 140617547
16-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene;16-[4-(3,5-dipyridin-3-ylphenyl)phenyl]-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 159133127
3-(9-phenylcarbazol-2-yl)-9-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 118028979
9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
CID 140607078
5-[4-[4-(4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]phenyl]pyrido[3,2-b]indole
CID 147682919
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156

Frequently Asked Questions

What is the IUPAC name of 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The IUPAC name of 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene (CID 146907438) is 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene.
What is the SMILES notation for 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The canonical SMILES for 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is c1ccc(-n2c3ccccc3c3nc4ccc(-c5ccc(-c6nccc7ccccc67)cc5)cn4c32)cc1.
What is the InChIKey of 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
The InChIKey is AAQGMVQMUVHWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N4/c1-2-9-27(10-3-1)38-30-13-7-6-12-29(30)33-34(38)37-22-26(18-19-31(37)36-33)23-14-16-25(17-15-23)32-28-11-5-4-8-24(28)20-21-35-32/h1-22H.
What are the key properties of 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene?
4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene has a molecular weight of 486.58 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-isoquinolin-1-ylphenyl)-16-phenyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene is sourced from PubChem (CID 146907438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).