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

C33H21N3O — CID 164776263

IUPAC5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2c2cc3ccccc3n12
InChIInChI=1S/C33H21N3O/c37-33-35(30-17-9-6-14-26(30)32-20-22-10-4-7-15-28(22)36(32)33)24-18-19-31-27(21-24)25-13-5-8-16-29(25)34(31)23-11-2-1-3-12-23/h1-21H
InChIKeyFVPPRUKRUIDLTR-UHFFFAOYSA-N
MW475.55 g/mol
LogP7.49
Rot. Bonds2

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

5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one (PubChem CID 164776263) has the molecular formula C33H21N3O and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one
PubChem CID164776263
Molecular FormulaC33H21N3O
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC Name5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one
SMILESO=c1n(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2c2cc3ccccc3n12
InChIInChI=1S/C33H21N3O/c37-33-35(30-17-9-6-14-26(30)32-20-22-10-4-7-15-28(22)36(32)33)24-18-19-31-27(21-24)25-13-5-8-16-29(25)34(31)23-11-2-1-3-12-23/h1-21H
InChIKeyFVPPRUKRUIDLTR-UHFFFAOYSA-N
XLogP7.49
TPSA31.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one?
The IUPAC name of 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one (CID 164776263) is 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one is O=c1n(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccccc2c2cc3ccccc3n12.
What is the InChIKey of 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one?
The InChIKey is FVPPRUKRUIDLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O/c37-33-35(30-17-9-6-14-26(30)32-20-22-10-4-7-15-28(22)36(32)33)24-18-19-31-27(21-24)25-13-5-8-16-29(25)34(31)23-11-2-1-3-12-23/h1-21H.
What are the key properties of 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one?
5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one has a molecular weight of 475.55 g/mol, XLogP of 7.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-3-yl)indolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 164776263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).