3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one

C38H23N3O — CID 164913455

IUPAC3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
SMILESO=c1c2ccccc2nc2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n12
InChIInChI=1S/C38H23N3O/c42-38-30-15-6-8-16-33(30)39-37-29-14-5-4-12-27(29)31-22-24(19-21-36(31)41(37)38)25-18-20-35-32(23-25)28-13-7-9-17-34(28)40(35)26-10-2-1-3-11-26/h1-23H
InChIKeyOOMHPLIXVAPEIT-UHFFFAOYSA-N
MW537.62 g/mol
LogP8.92
Rot. Bonds2

About 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one

3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one (PubChem CID 164913455) has the molecular formula C38H23N3O and a molecular weight of 537.62 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
PubChem CID164913455
Molecular FormulaC38H23N3O
Molecular Weight537.62 g/mol
Exact Mass537.18
IUPAC Name3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one
SMILESO=c1c2ccccc2nc2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n12
InChIInChI=1S/C38H23N3O/c42-38-30-15-6-8-16-33(30)39-37-29-14-5-4-12-27(29)31-22-24(19-21-36(31)41(37)38)25-18-20-35-32(23-25)28-13-7-9-17-34(28)40(35)26-10-2-1-3-11-26/h1-23H
InChIKeyOOMHPLIXVAPEIT-UHFFFAOYSA-N
XLogP8.92
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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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
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
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
5-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzimidazolo[1,2-c]quinazolin-6-one
CID 164776394
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
6-[3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508649
21-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3,10,12-triazahexacyclo[10.10.1.02,11.04,9.013,18.019,23]tricosa-1(22),2,4,6,8,10,13,15,17,19(23),20-undecaene
CID 126577832
2-phenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-one
CID 121247295
6-phenyl-10-(9-phenylcarbazol-3-yl)quinazolino[1,2-c]quinazolin-13-one
CID 171448156
22-phenyl-18-[9-(3-phenylphenyl)carbazol-3-yl]-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16(21),17,19-undecaene
CID 135212582
10-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,9-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-19-one
CID 146647834
6-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134508650

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one (CID 164913455) is 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one is O=c1c2ccccc2nc2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n12.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one?
The InChIKey is OOMHPLIXVAPEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3O/c42-38-30-15-6-8-16-33(30)39-37-29-14-5-4-12-27(29)31-22-24(19-21-36(31)41(37)38)25-18-20-35-32(23-25)28-13-7-9-17-34(28)40(35)26-10-2-1-3-11-26/h1-23H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one?
3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one has a molecular weight of 537.62 g/mol, XLogP of 8.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)quinazolino[3,2-f]phenanthridin-14-one is sourced from PubChem (CID 164913455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).