3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole

C50H31N3S — CID 145159010

IUPAC3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C50H31N3S/c1-3-12-32(13-4-1)49-43-31-34(35-23-26-46-41(29-35)39-18-7-9-20-45(39)53(46)38-16-5-2-6-17-38)22-25-44(43)51-50(52-49)37-15-11-14-33(28-37)36-24-27-48-42(30-36)40-19-8-10-21-47(40)54-48/h1-31H
InChIKeyYIOZGUPFGALFIE-UHFFFAOYSA-N
MW705.89 g/mol
LogP13.76
Rot. Bonds5

About 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole

3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole (PubChem CID 145159010) has the molecular formula C50H31N3S and a molecular weight of 705.89 g/mol. Its IUPAC name is 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
PubChem CID145159010
Molecular FormulaC50H31N3S
Molecular Weight705.89 g/mol
Exact Mass705.22
IUPAC Name3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C50H31N3S/c1-3-12-32(13-4-1)49-43-31-34(35-23-26-46-41(29-35)39-18-7-9-20-45(39)53(46)38-16-5-2-6-17-38)22-25-44(43)51-50(52-49)37-15-11-14-33(28-37)36-24-27-48-42(30-36)40-19-8-10-21-47(40)54-48/h1-31H
InChIKeyYIOZGUPFGALFIE-UHFFFAOYSA-N
XLogP13.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.89
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-dibenzothiophen-2-yl-9-[4-[6-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-4-yl]phenyl]carbazole
CID 126632050
9-[3-[2,6-bis[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-3-dibenzothiophen-2-ylcarbazole;3-dibenzothiophen-2-yl-9-[4-[4-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]carbazole
CID 160894019
11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 126630744
3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159089
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole
CID 134219481
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158199615
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
9-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 163975488
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
3-[3-(3-dibenzothiophen-2-ylcarbazol-9-yl)phenyl]-2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 130325812
12-[3-[6-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 126630940

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole?
The IUPAC name of 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole (CID 145159010) is 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)nc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1.
What is the InChIKey of 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole?
The InChIKey is YIOZGUPFGALFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3S/c1-3-12-32(13-4-1)49-43-31-34(35-23-26-46-41(29-35)39-18-7-9-20-45(39)53(46)38-16-5-2-6-17-38)22-25-44(43)51-50(52-49)37-15-11-14-33(28-37)36-24-27-48-42(30-36)40-19-8-10-21-47(40)54-48/h1-31H.
What are the key properties of 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole?
3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole has a molecular weight of 705.89 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole is sourced from PubChem (CID 145159010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).