3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one

C49H31N5O — CID 146638528

IUPAC3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2n1-c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C49H31N5O/c55-48-38-24-12-14-26-42(38)52-31-40(34-28-29-44-39(30-34)36-22-11-15-27-43(36)53(44)35-20-8-3-9-21-35)45(32-16-4-1-5-17-32)47(52)54(48)49-50-41-25-13-10-23-37(41)46(51-49)33-18-6-2-7-19-33/h1-31H
InChIKeyGMEOBDQZKQEOFE-UHFFFAOYSA-N
MW705.82 g/mol
LogP11.28
Rot. Bonds5

About 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one

3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one (PubChem CID 146638528) has the molecular formula C49H31N5O and a molecular weight of 705.82 g/mol. Its IUPAC name is 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one
PubChem CID146638528
Molecular FormulaC49H31N5O
Molecular Weight705.82 g/mol
Exact Mass705.25
IUPAC Name3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2n1-c1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C49H31N5O/c55-48-38-24-12-14-26-42(38)52-31-40(34-28-29-44-39(30-34)36-22-11-15-27-43(36)53(44)35-20-8-3-9-21-35)45(32-16-4-1-5-17-32)47(52)54(48)49-50-41-25-13-10-23-37(41)46(51-49)33-18-6-2-7-19-33/h1-31H
InChIKeyGMEOBDQZKQEOFE-UHFFFAOYSA-N
XLogP11.28
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.82
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
7-phenyl-5-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[2,3-b]carbazole
CID 126580211
6-phenyl-3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863159
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
[9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-3-yl]boronic acid
CID 145381468
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one (CID 146638528) is 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one is O=c1c2ccccc2n2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c(-c3ccccc3)c2n1-c1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is GMEOBDQZKQEOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N5O/c55-48-38-24-12-14-26-42(38)52-31-40(34-28-29-44-39(30-34)36-22-11-15-27-43(36)53(44)35-20-8-3-9-21-35)45(32-16-4-1-5-17-32)47(52)54(48)49-50-41-25-13-10-23-37(41)46(51-49)33-18-6-2-7-19-33/h1-31H.
What are the key properties of 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one?
3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 705.82 g/mol, XLogP of 11.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(9-phenylcarbazol-3-yl)-4-(4-phenylquinazolin-2-yl)pyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 146638528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).