11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one

C55H35N5O — CID 164807145

IUPAC11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one
SMILESO=c1c2ccccc2c2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1-c1ccccc1
InChIInChI=1S/C55H35N5O/c61-54-44-27-14-13-26-43(44)52-53(59(54)41-23-11-4-12-24-41)46-34-39(38-29-31-50-45(33-38)42-25-15-16-28-49(42)58(50)40-21-9-3-10-22-40)30-32-51(46)60(52)55-56-47(36-17-5-1-6-18-36)35-48(57-55)37-19-7-2-8-20-37/h1-35H
InChIKeyCBMRQRQUCRCFDB-UHFFFAOYSA-N
MW781.92 g/mol
LogP12.98
Rot. Bonds6

About 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one

11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one (PubChem CID 164807145) has the molecular formula C55H35N5O and a molecular weight of 781.92 g/mol. Its IUPAC name is 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one
PubChem CID164807145
Molecular FormulaC55H35N5O
Molecular Weight781.92 g/mol
Exact Mass781.28
IUPAC Name11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one
SMILESO=c1c2ccccc2c2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1-c1ccccc1
InChIInChI=1S/C55H35N5O/c61-54-44-27-14-13-26-43(44)52-53(59(54)41-23-11-4-12-24-41)46-34-39(38-29-31-50-45(33-38)42-25-15-16-28-49(42)58(50)40-21-9-3-10-22-40)30-32-51(46)60(52)55-56-47(36-17-5-1-6-18-36)35-48(57-55)37-19-7-2-8-20-37/h1-35H
InChIKeyCBMRQRQUCRCFDB-UHFFFAOYSA-N
XLogP12.98
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.92
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-phenyl-12-[3-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 121465287
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;5-(4,6-diphenylpyrimidin-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 158138406
3-(4,6-diphenylpyrimidin-2-yl)-12,16-diphenyl-3,12,16-triazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(13),2(10),4,6,8,14,17,19,21,23-decaen-11-one
CID 155152461
3-[4-[9-[4,6-bis(3-phenylphenyl)pyrimidin-2-yl]carbazol-3-yl]phenyl]-9-phenylcarbazole
CID 90182891
2-[3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]phenyl]-7,9-diphenylcarbazole
CID 90182884
2-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 58511118
phenyl-[4-[6-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]methanone
CID 121276792
12-[4,6-bis(6-phenyl-3-pyridinyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 58142345
2-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]carbazole
CID 121444219
9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-phenylpyrimidin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160629026
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
3-(9-phenylcarbazol-3-yl)-9-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]pyrimidin-2-yl]carbazole
CID 134236668

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one?
The IUPAC name of 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one (CID 164807145) is 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one.
What is the SMILES notation for 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one?
The canonical SMILES for 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one is O=c1c2ccccc2c2c(c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)n1-c1ccccc1.
What is the InChIKey of 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one?
The InChIKey is CBMRQRQUCRCFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N5O/c61-54-44-27-14-13-26-43(44)52-53(59(54)41-23-11-4-12-24-41)46-34-39(38-29-31-50-45(33-38)42-25-15-16-28-49(42)58(50)40-21-9-3-10-22-40)30-32-51(46)60(52)55-56-47(36-17-5-1-6-18-36)35-48(57-55)37-19-7-2-8-20-37/h1-35H.
What are the key properties of 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one?
11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one has a molecular weight of 781.92 g/mol, XLogP of 12.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-8-(9-phenylcarbazol-3-yl)indolo[3,2-c]isoquinolin-5-one is sourced from PubChem (CID 164807145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).