3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

C50H30N4O — CID 90050449

IUPAC3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C50H30N4O/c1-3-13-31(14-4-1)47-39-19-7-10-20-42(39)51-50(52-47)54-45-28-24-33(30-41(45)37-25-26-38-36-18-9-12-22-46(36)55-49(38)48(37)54)32-23-27-44-40(29-32)35-17-8-11-21-43(35)53(44)34-15-5-2-6-16-34/h1-30H
InChIKeyAZYSAMZFDPHLLL-UHFFFAOYSA-N
MW702.82 g/mol
LogP13.06
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole

3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole (PubChem CID 90050449) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
PubChem CID90050449
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1
InChIInChI=1S/C50H30N4O/c1-3-13-31(14-4-1)47-39-19-7-10-20-42(39)51-50(52-47)54-45-28-24-33(30-41(45)37-25-26-38-36-18-9-12-22-46(36)55-49(38)48(37)54)32-23-27-44-40(29-32)35-17-8-11-21-43(35)53(44)34-15-5-2-6-16-34/h1-30H
InChIKeyAZYSAMZFDPHLLL-UHFFFAOYSA-N
XLogP13.06
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.82
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-phenyl-18-(4-phenylquinazolin-2-yl)-12-oxa-15,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 126679145
12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 126580317
18-[4-[3-[6-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazol-3-yl]phenyl]quinazolin-2-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 146615811
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
5-[3-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;5-[4-(9-phenylcarbazol-3-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole;6-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 159057836
6-carbazol-9-yl-1-(3-dibenzofuran-3-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568797
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
12-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 146573160
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
18-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-21-(4-phenylquinazolin-2-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 138475063
12-[4-(9-phenylcarbazol-1-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 163786854

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole (CID 90050449) is 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2nc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4ccc5c6ccccc6oc5c43)nc3ccccc23)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
The InChIKey is AZYSAMZFDPHLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-3-13-31(14-4-1)47-39-19-7-10-20-42(39)51-50(52-47)54-45-28-24-33(30-41(45)37-25-26-38-36-18-9-12-22-46(36)55-49(38)48(37)54)32-23-27-44-40(29-32)35-17-8-11-21-43(35)53(44)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole?
3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole has a molecular weight of 702.82 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-12-(4-phenylquinazolin-2-yl)-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 90050449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).