6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one

C33H22N2O — CID 155152472

IUPAC6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one
SMILESO=c1c2ccccc2c2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2n1-c1ccccc1
InChIInChI=1S/C33H22N2O/c36-33-28-19-8-7-18-27(28)31-29-20-9-10-21-30(29)34(32(31)35(33)25-15-5-2-6-16-25)26-17-11-14-24(22-26)23-12-3-1-4-13-23/h1-22H
InChIKeyUBBOUPAAQVLZAO-UHFFFAOYSA-N
MW462.55 g/mol
LogP7.75
Rot. Bonds3

About 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one

6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one (PubChem CID 155152472) has the molecular formula C33H22N2O and a molecular weight of 462.55 g/mol. Its IUPAC name is 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one
PubChem CID155152472
Molecular FormulaC33H22N2O
Molecular Weight462.55 g/mol
Exact Mass462.17
IUPAC Name6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one
SMILESO=c1c2ccccc2c2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2n1-c1ccccc1
InChIInChI=1S/C33H22N2O/c36-33-28-19-8-7-18-27(28)31-29-20-9-10-21-30(29)34(32(31)35(33)25-15-5-2-6-16-25)26-17-11-14-24(22-26)23-12-3-1-4-13-23/h1-22H
InChIKeyUBBOUPAAQVLZAO-UHFFFAOYSA-N
XLogP7.75
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylindolo[2,3-c]isoquinolin-5-one
CID 155152609
9,18-diphenyl-27-[3-(4-phenylphenyl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 138730085
5-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]-6-phenylindolo[2,3-b]indole;5-[4-[3,5-bis(6-phenylindolo[2,3-b]indol-5-yl)phenyl]phenyl]-6-phenylindolo[2,3-b]indole
CID 159023598
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134168669
9-(3-phenylphenyl)-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 138747357
2-phenyl-5-(3-triphenylen-2-ylphenyl)phenanthridin-6-one
CID 142451944
11,15-diphenyl-20-(3-phenylphenyl)-11,15,20-triazaheptacyclo[15.11.0.02,14.04,12.05,10.019,27.021,26]octacosa-1(17),2(14),3,5,7,9,12,18,21,23,25,27-dodecaen-16-one
CID 168933422
9,14-bis(3,5-diphenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(3,5-diphenylphenyl)-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-[3-(3-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 162231866
9-[3-(3-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[3-(4-carbazol-9-ylphenyl)phenyl]-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-(3-carbazol-9-ylphenyl)phenyl]-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158065664
5-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]phenanthridin-6-one
CID 134576237
9-(3-carbazol-9-ylphenyl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122598820
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one?
The IUPAC name of 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one (CID 155152472) is 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one?
The canonical SMILES for 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one is O=c1c2ccccc2c2c3ccccc3n(-c3cccc(-c4ccccc4)c3)c2n1-c1ccccc1.
What is the InChIKey of 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one?
The InChIKey is UBBOUPAAQVLZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2O/c36-33-28-19-8-7-18-27(28)31-29-20-9-10-21-30(29)34(32(31)35(33)25-15-5-2-6-16-25)26-17-11-14-24(22-26)23-12-3-1-4-13-23/h1-22H.
What are the key properties of 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one?
6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one has a molecular weight of 462.55 g/mol, XLogP of 7.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-(3-phenylphenyl)indolo[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 155152472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).