5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one

C50H31N5O — CID 164776394

IUPAC5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C50H31N5O/c56-50-54(45-23-10-6-19-39(45)49-51-42-20-7-11-24-48(42)55(49)50)36-16-12-15-35(31-36)53-44-22-9-5-18-38(44)41-30-33(26-28-47(41)53)32-25-27-46-40(29-32)37-17-4-8-21-43(37)52(46)34-13-2-1-3-14-34/h1-31H
InChIKeyJWNXTVIAVYHZNY-UHFFFAOYSA-N
MW717.83 g/mol
LogP11.65
Rot. Bonds4

About 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one

5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one (PubChem CID 164776394) has the molecular formula C50H31N5O and a molecular weight of 717.83 g/mol. Its IUPAC name is 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
PubChem CID164776394
Molecular FormulaC50H31N5O
Molecular Weight717.83 g/mol
Exact Mass717.25
IUPAC Name5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C50H31N5O/c56-50-54(45-23-10-6-19-39(45)49-51-42-20-7-11-24-48(42)55(49)50)36-16-12-15-35(31-36)53-44-22-9-5-18-38(44)41-30-33(26-28-47(41)53)32-25-27-46-40(29-32)37-17-4-8-21-43(37)52(46)34-13-2-1-3-14-34/h1-31H
InChIKeyJWNXTVIAVYHZNY-UHFFFAOYSA-N
XLogP11.65
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776379
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one
CID 165126101
6-[3-(9-naphthalen-2-ylcarbazol-2-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(9-naphthalen-2-ylcarbazol-3-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158881865
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline;6-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 158963688

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one?
The IUPAC name of 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one (CID 164776394) is 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one is O=c1n(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)c2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one?
The InChIKey is JWNXTVIAVYHZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O/c56-50-54(45-23-10-6-19-39(45)49-51-42-20-7-11-24-48(42)55(49)50)36-16-12-15-35(31-36)53-44-22-9-5-18-38(44)41-30-33(26-28-47(41)53)32-25-27-46-40(29-32)37-17-4-8-21-43(37)52(46)34-13-2-1-3-14-34/h1-31H.
What are the key properties of 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one?
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one has a molecular weight of 717.83 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 164776394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).