1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

C56H35N3S — CID 142568323

IUPAC1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C56H35N3S/c1-3-14-36(15-4-1)41-28-30-51-48(34-41)46-25-13-24-44(55(46)59(51)56-57-50-26-9-7-23-47(50)54(58-56)37-16-5-2-6-17-37)43-21-12-20-40(33-43)38-18-11-19-39(32-38)42-29-31-53-49(35-42)45-22-8-10-27-52(45)60-53/h1-35H
InChIKeyPXGKYFONVVAYTR-UHFFFAOYSA-N
MW781.98 g/mol
LogP15.43
Rot. Bonds6

About 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole

1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 142568323) has the molecular formula C56H35N3S and a molecular weight of 781.98 g/mol. Its IUPAC name is 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID142568323
Molecular FormulaC56H35N3S
Molecular Weight781.98 g/mol
Exact Mass781.26
IUPAC Name1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C56H35N3S/c1-3-14-36(15-4-1)41-28-30-51-48(34-41)46-25-13-24-44(55(46)59(51)56-57-50-26-9-7-23-47(50)54(58-56)37-16-5-2-6-17-37)43-21-12-20-40(33-43)38-18-11-19-39(32-38)42-29-31-53-49(35-42)45-22-8-10-27-52(45)60-53/h1-35H
InChIKeyPXGKYFONVVAYTR-UHFFFAOYSA-N
XLogP15.43
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.98
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
3-(4-dibenzothiophen-2-ylphenyl)-9-[4-(3,5-diphenylphenyl)quinazolin-2-yl]carbazole
CID 118067250
4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570761
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142572129
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
6-dibenzofuran-4-yl-1-(3-dibenzothiophen-1-ylphenyl)-9-(4-phenylquinazolin-2-yl)carbazole;ethane
CID 142569321
5-dibenzothiophen-2-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 122692448
15-[4-(3-phenylphenyl)quinazolin-2-yl]-10-thia-15-azaheptacyclo[14.12.0.02,14.03,11.04,9.017,22.023,28]octacosa-1(16),2(14),3(11),4,6,8,12,17,19,21,23,25,27-tridecaene
CID 135166051
1-[3-(9,9-dimethylfluoren-4-yl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 148655486
9-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-3,6-bis(4-phenylphenyl)carbazole
CID 166037170
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
7-(4-phenylquinazolin-2-yl)-[1]benzothiolo[2,3-b]carbazole
CID 129254561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (CID 142568323) is 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is c1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)c4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is PXGKYFONVVAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3S/c1-3-14-36(15-4-1)41-28-30-51-48(34-41)46-25-13-24-44(55(46)59(51)56-57-50-26-9-7-23-47(50)54(58-56)37-16-5-2-6-17-37)43-21-12-20-40(33-43)38-18-11-19-39(32-38)42-29-31-53-49(35-42)45-22-8-10-27-52(45)60-53/h1-35H.
What are the key properties of 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 781.98 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 142568323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).