3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole

C50H31N3OS — CID 67149678

IUPAC3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole
SMILESC1=Cc2c(oc3c2ccc2c4cc(-c5cccc6c5sc5ccccc56)ccc4n(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c23)CC1
InChIInChI=1S/C50H31N3OS/c1-2-11-30(12-3-1)46-40-15-4-7-18-42(40)51-50(52-46)31-21-24-33(25-22-31)53-43-28-23-32(34-16-10-17-39-36-14-6-9-20-45(36)55-49(34)39)29-41(43)37-26-27-38-35-13-5-8-19-44(35)54-48(38)47(37)53/h1-7,9-18,20-29H,8,19H2
InChIKeyRUUWWHHAELSQOX-UHFFFAOYSA-N
MW721.89 g/mol
LogP13.80
Rot. Bonds4

About 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole

3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole (PubChem CID 67149678) has the molecular formula C50H31N3OS and a molecular weight of 721.89 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole
PubChem CID67149678
Molecular FormulaC50H31N3OS
Molecular Weight721.89 g/mol
Exact Mass721.22
IUPAC Name3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole
SMILESC1=Cc2c(oc3c2ccc2c4cc(-c5cccc6c5sc5ccccc56)ccc4n(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c23)CC1
InChIInChI=1S/C50H31N3OS/c1-2-11-30(12-3-1)46-40-15-4-7-18-42(40)51-50(52-46)31-21-24-33(25-22-31)53-43-28-23-32(34-16-10-17-39-36-14-6-9-20-45(36)55-49(34)39)29-41(43)37-26-27-38-35-13-5-8-19-44(35)54-48(38)47(37)53/h1-7,9-18,20-29H,8,19H2
InChIKeyRUUWWHHAELSQOX-UHFFFAOYSA-N
XLogP13.80
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.89
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 67701944
12-[2-[4-[2-([1]Benzofuro[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 138712680
4-Dibenzofuran-2-yl-6-dibenzothiophen-3-yl-2-(7-fluorodibenzothiophen-3-yl)pyrimidine
CID 138736622
15-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-difluoro-18-oxa-15-azaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.019,24]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),19,21,23,26-dodecaene
CID 148136249
11-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-b]carbazole
CID 155158563
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5-phenylindolo[3,2-c]carbazole
CID 155158568
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-5,6-diphenylindolo[3,2-c]carbazole
CID 155158572
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-6,12-diphenylindolo[3,2-c]carbazole
CID 155158574
12-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-[1]benzothiolo[3,2-a]carbazole
CID 155158582
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 155159489
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-7-phenylindolo[2,3-b]carbazole
CID 155159516
5-[1-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3-(trifluoromethyl)dibenzofuran-4-yl]-2,7-diphenylindolo[2,3-b]carbazole
CID 155159521

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole (CID 67149678) is 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole is C1=Cc2c(oc3c2ccc2c4cc(-c5cccc6c5sc5ccccc56)ccc4n(-c4ccc(-c5nc(-c6ccccc6)c6ccccc6n5)cc4)c23)CC1.
What is the InChIKey of 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole?
The InChIKey is RUUWWHHAELSQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3OS/c1-2-11-30(12-3-1)46-40-15-4-7-18-42(40)51-50(52-46)31-21-24-33(25-22-31)53-43-28-23-32(34-16-10-17-39-36-14-6-9-20-45(36)55-49(34)39)29-41(43)37-26-27-38-35-13-5-8-19-44(35)54-48(38)47(37)53/h1-7,9-18,20-29H,8,19H2.
What are the key properties of 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole?
3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole has a molecular weight of 721.89 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-12-[4-(4-phenylquinazolin-2-yl)phenyl]-9,10-dihydro-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 67149678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).