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

C50H31N3S — CID 145159089

IUPAC3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C50H31N3S/c1-3-12-34(13-4-1)50-51-44-28-26-35(36-27-29-46-42(30-36)39-16-7-9-20-45(39)53(46)37-14-5-2-6-15-37)31-43(44)48(52-50)33-24-22-32(23-25-33)38-18-11-19-41-40-17-8-10-21-47(40)54-49(38)41/h1-31H
InChIKeyPJBMNDQGZGIKAA-UHFFFAOYSA-N
MW705.89 g/mol
LogP13.76
Rot. Bonds5

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

3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole (PubChem CID 145159089) has the molecular formula C50H31N3S and a molecular weight of 705.89 g/mol. Its IUPAC name is 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
PubChem CID145159089
Molecular FormulaC50H31N3S
Molecular Weight705.89 g/mol
Exact Mass705.22
IUPAC Name3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2)cc1
InChIInChI=1S/C50H31N3S/c1-3-12-34(13-4-1)50-51-44-28-26-35(36-27-29-46-42(30-36)39-16-7-9-20-45(39)53(46)37-14-5-2-6-15-37)31-43(44)48(52-50)33-24-22-32(23-25-33)38-18-11-19-41-40-17-8-10-21-47(40)54-49(38)41/h1-31H
InChIKeyPJBMNDQGZGIKAA-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

6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole
CID 134219481
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
3-[2-(3-dibenzothiophen-2-ylphenyl)-4-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159010
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158377536
3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-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;9-phenyl-14-(4-phenylquinazolin-2-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 159551431
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-9-phenylcarbazole
CID 154601885
3-dibenzothiophen-4-yl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 165005678
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 164957895
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
4-(4-bromophenyl)dibenzothiophene;deuterium monohydride;9-(4-dibenzothiophen-4-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158892473
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole (CID 145159089) is 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3n2)cc1.
What is the InChIKey of 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
The InChIKey is PJBMNDQGZGIKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3S/c1-3-12-34(13-4-1)50-51-44-28-26-35(36-27-29-46-42(30-36)39-16-7-9-20-45(39)53(46)37-14-5-2-6-15-37)31-43(44)48(52-50)33-24-22-32(23-25-33)38-18-11-19-41-40-17-8-10-21-47(40)54-49(38)41/h1-31H.
What are the key properties of 3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole?
3-[4-(4-dibenzothiophen-4-ylphenyl)-2-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-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole is sourced from PubChem (CID 145159089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).