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

C50H31N3S — CID 142568439

IUPAC1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C50H31N3S/c1-3-13-32(14-4-1)35-25-27-45-42(30-35)40-22-12-21-38(37-18-11-17-34(29-37)36-26-28-47-43(31-36)39-19-8-10-24-46(39)54-47)49(40)53(45)50-51-44-23-9-7-20-41(44)48(52-50)33-15-5-2-6-16-33/h1-31H
InChIKeyLTSSVBRJXTWZMS-UHFFFAOYSA-N
MW705.89 g/mol
LogP13.76
Rot. Bonds5

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

1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 142568439) has the molecular formula C50H31N3S and a molecular weight of 705.89 g/mol. Its IUPAC name is 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID142568439
Molecular FormulaC50H31N3S
Molecular Weight705.89 g/mol
Exact Mass705.22
IUPAC Name1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C50H31N3S/c1-3-13-32(14-4-1)35-25-27-45-42(30-35)40-22-12-21-38(37-18-11-17-34(29-37)36-26-28-47-43(31-36)39-19-8-10-24-46(39)54-47)49(40)53(45)50-51-44-23-9-7-20-41(44)48(52-50)33-15-5-2-6-16-33/h1-31H
InChIKeyLTSSVBRJXTWZMS-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

1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
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-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole (CID 142568439) is 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is c1ccc(-c2ccc3c(c2)c2cccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)c2n3-c2nc(-c3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is LTSSVBRJXTWZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N3S/c1-3-13-32(14-4-1)35-25-27-45-42(30-35)40-22-12-21-38(37-18-11-17-34(29-37)36-26-28-47-43(31-36)39-19-8-10-24-46(39)54-47)49(40)53(45)50-51-44-23-9-7-20-41(44)48(52-50)33-15-5-2-6-16-33/h1-31H.
What are the key properties of 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole?
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole 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 1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 142568439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).