6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one

C39H24N4O — CID 171448156

IUPAC6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one
SMILESO=c1nc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3nc(-c3ccccc3)n2c2ccccc12
InChIInChI=1S/C39H24N4O/c44-39-30-16-8-10-18-35(30)43-37(25-11-3-1-4-12-25)40-33-21-19-26(24-32(33)38(43)41-39)27-20-22-36-31(23-27)29-15-7-9-17-34(29)42(36)28-13-5-2-6-14-28/h1-24H
InChIKeyKWIIFGCIDAFTPW-UHFFFAOYSA-N
MW564.65 g/mol
LogP8.83
Rot. Bonds3

About 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one

6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one (PubChem CID 171448156) has the molecular formula C39H24N4O and a molecular weight of 564.65 g/mol. Its IUPAC name is 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one.

Molecular Properties

Compound Name6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one
PubChem CID171448156
Molecular FormulaC39H24N4O
Molecular Weight564.65 g/mol
Exact Mass564.20
IUPAC Name6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one
SMILESO=c1nc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3nc(-c3ccccc3)n2c2ccccc12
InChIInChI=1S/C39H24N4O/c44-39-30-16-8-10-18-35(30)43-37(25-11-3-1-4-12-25)40-33-21-19-26(24-32(33)38(43)41-39)27-20-22-36-31(23-27)29-15-7-9-17-34(29)42(36)28-13-5-2-6-14-28/h1-24H
InChIKeyKWIIFGCIDAFTPW-UHFFFAOYSA-N
XLogP8.83
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.65
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

10-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylquinazolino[1,2-c]quinazolin-13-one
CID 171448072
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
CID 164913455
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
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
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776394
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one?
The IUPAC name of 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one (CID 171448156) is 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one.
What is the SMILES notation for 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one?
The canonical SMILES for 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one is O=c1nc2c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3nc(-c3ccccc3)n2c2ccccc12.
What is the InChIKey of 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one?
The InChIKey is KWIIFGCIDAFTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4O/c44-39-30-16-8-10-18-35(30)43-37(25-11-3-1-4-12-25)40-33-21-19-26(24-32(33)38(43)41-39)27-20-22-36-31(23-27)29-15-7-9-17-34(29)42(36)28-13-5-2-6-14-28/h1-24H.
What are the key properties of 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one?
6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one has a molecular weight of 564.65 g/mol, XLogP of 8.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one is sourced from PubChem (CID 171448156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).