5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole

C50H30N4O — CID 146334039

IUPAC5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)ccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C50H30N4O/c1-3-14-31(15-4-1)49-36-20-7-10-22-41(36)51-50(52-49)38-21-13-25-46-48(38)37-27-26-33(28-47(37)55-46)54-43-24-12-9-19-35(43)40-29-44-39(30-45(40)54)34-18-8-11-23-42(34)53(44)32-16-5-2-6-17-32/h1-30H
InChIKeyLZSAECSBUWWAJV-UHFFFAOYSA-N
MW702.82 g/mol
LogP13.06
Rot. Bonds4

About 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole

5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole (PubChem CID 146334039) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
PubChem CID146334039
Molecular FormulaC50H30N4O
Molecular Weight702.82 g/mol
Exact Mass702.24
IUPAC Name5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)ccc5c34)nc3ccccc23)cc1
InChIInChI=1S/C50H30N4O/c1-3-14-31(15-4-1)49-36-20-7-10-22-41(36)51-50(52-49)38-21-13-25-46-48(38)37-27-26-33(28-47(37)55-46)54-43-24-12-9-19-35(43)40-29-44-39(30-45(40)54)34-18-8-11-23-42(34)53(44)32-16-5-2-6-17-32/h1-30H
InChIKeyLZSAECSBUWWAJV-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

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Related Compounds

9-(3-phenylphenyl)-3-[9-[4-(3-phenylphenyl)quinazolin-2-yl]dibenzofuran-3-yl]carbazole
CID 134594925
3-dibenzofuran-2-yl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;2,7-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3,6-diphenyl-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[9-(2-phenylquinazolin-4-yl)dibenzofuran-3-yl]carbazole
CID 158774380
11-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126580313
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole
CID 158659259
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
4-cyclohexa-2,4-dien-1-yl-9-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]carbazole
CID 167200694
9-phenyl-14-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176817804
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
4-(3-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzofuran-1-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine
CID 158279282
3-[9-[4-(7-carbazol-9-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 168768747

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole (CID 146334039) is 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole is c1ccc(-c2nc(-c3cccc4oc5cc(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)ccc5c34)nc3ccccc23)cc1.
What is the InChIKey of 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole?
The InChIKey is LZSAECSBUWWAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-3-14-31(15-4-1)49-36-20-7-10-22-41(36)51-50(52-49)38-21-13-25-46-48(38)37-27-26-33(28-47(37)55-46)54-43-24-12-9-19-35(43)40-29-44-39(30-45(40)54)34-18-8-11-23-42(34)53(44)32-16-5-2-6-17-32/h1-30H.
What are the key properties of 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole?
5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]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 5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-3-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 146334039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).