6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one

C39H25N3O — CID 163734590

IUPAC6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2n1-c1ccccc1
InChIInChI=1S/C39H25N3O/c43-39-31-19-9-12-22-35(31)42-34-21-11-8-18-30(34)37(38(42)41(39)28-15-5-2-6-16-28)26-23-24-36-32(25-26)29-17-7-10-20-33(29)40(36)27-13-3-1-4-14-27/h1-25H
InChIKeyLCMGJQUEWRXIEO-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.16
Rot. Bonds3

About 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one

6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one (PubChem CID 163734590) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one
PubChem CID163734590
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2n1-c1ccccc1
InChIInChI=1S/C39H25N3O/c43-39-31-19-9-12-22-35(31)42-34-21-11-8-18-30(34)37(38(42)41(39)28-15-5-2-6-16-28)26-23-24-36-32(25-26)29-17-7-10-20-33(29)40(36)27-13-3-1-4-14-27/h1-25H
InChIKeyLCMGJQUEWRXIEO-UHFFFAOYSA-N
XLogP9.16
TPSA31.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,10-diphenyl-6-(9-phenylcarbazol-3-yl)-2,10,14-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),4,6,8(15),11-pentaene-3,9-dione
CID 146639189
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
10-(9-phenylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 118517626
9-phenyl-3-[4-[10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-phenyl-3-[4-[4-[10-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]carbazole
CID 158416546
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
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

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one?
The IUPAC name of 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one (CID 163734590) is 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one is O=c1c2ccccc2n2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2n1-c1ccccc1.
What is the InChIKey of 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one?
The InChIKey is LCMGJQUEWRXIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c43-39-31-19-9-12-22-35(31)42-34-21-11-8-18-30(34)37(38(42)41(39)28-15-5-2-6-16-28)26-23-24-36-32(25-26)29-17-7-10-20-33(29)40(36)27-13-3-1-4-14-27/h1-25H.
What are the key properties of 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one?
6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one has a molecular weight of 551.65 g/mol, XLogP of 9.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-7-(9-phenylcarbazol-3-yl)indolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 163734590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).