2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline

C37H24N4 — CID 169090245

IUPAC2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline
SMILESc1ccc(-c2ccc3cc(-c4ccccc4)n4c(nc5nc(-c6ccccc6)nc(-c6ccccc6)c54)c3c2)cc1
InChIInChI=1S/C37H24N4/c1-5-13-25(14-6-1)29-21-22-30-24-32(26-15-7-2-8-16-26)41-34-33(27-17-9-3-10-18-27)38-35(28-19-11-4-12-20-28)39-36(34)40-37(41)31(30)23-29/h1-24H
InChIKeyXSGCIUSJJNZTGS-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.10
Rot. Bonds4

About 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline

2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline (PubChem CID 169090245) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline.

Molecular Properties

Compound Name2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline
PubChem CID169090245
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline
SMILESc1ccc(-c2ccc3cc(-c4ccccc4)n4c(nc5nc(-c6ccccc6)nc(-c6ccccc6)c54)c3c2)cc1
InChIInChI=1S/C37H24N4/c1-5-13-25(14-6-1)29-21-22-30-24-32(26-15-7-2-8-16-26)41-34-33(27-17-9-3-10-18-27)38-35(28-19-11-4-12-20-28)39-36(34)40-37(41)31(30)23-29/h1-24H
InChIKeyXSGCIUSJJNZTGS-UHFFFAOYSA-N
XLogP9.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328582
9-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328776
9-[4-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328576
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328744
1,2,5-triphenyl-9-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]pyrazolo[5,1-a]isoquinoline
CID 167328856
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-methyl-2,5-diphenylpyrazolo[5,1-a]isoquinoline
CID 167328809
10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 167102507
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2-diphenylpyrazolo[5,1-a]isoquinoline
CID 140939957
9-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396505
16-(9H-fluoren-4-yl)-18-phenyl-4-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-14,17,19,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163388283
2,4-diphenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 166737815
2-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 18787948

Frequently Asked Questions

What is the IUPAC name of 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline?
The IUPAC name of 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline (CID 169090245) is 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline.
What is the SMILES notation for 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline?
The canonical SMILES for 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline is c1ccc(-c2ccc3cc(-c4ccccc4)n4c(nc5nc(-c6ccccc6)nc(-c6ccccc6)c54)c3c2)cc1.
What is the InChIKey of 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline?
The InChIKey is XSGCIUSJJNZTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-5-13-25(14-6-1)29-21-22-30-24-32(26-15-7-2-8-16-26)41-34-33(27-17-9-3-10-18-27)38-35(28-19-11-4-12-20-28)39-36(34)40-37(41)31(30)23-29/h1-24H.
What are the key properties of 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline?
2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline has a molecular weight of 524.63 g/mol, XLogP of 9.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8,10-tetraphenylpurino[8,7-a]isoquinoline is sourced from PubChem (CID 169090245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).