3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole

C132H85N3S3 — CID 158633685

IUPAC3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)c4)c3)c2)cc1
InChIInChI=1S/C48H31NS.2C42H27NS/c1-2-11-32(12-3-1)33-13-8-14-34(27-33)35-15-9-16-36(28-35)37-17-10-18-40(29-37)49-45-21-6-4-19-41(45)43-30-38(23-25-46(43)49)39-24-26-48-44(31-39)42-20-5-7-22-47(42)50-48;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)43-39-17-9-7-15-35(39)37-26-30(19-21-40(37)43)31-20-22-42-38(27-31)36-16-8-10-18-41(36)44-42;1-2-8-28(9-3-1)29-14-16-30(17-15-29)31-18-22-34(23-19-31)43-39-12-6-4-10-35(39)37-26-32(20-24-40(37)43)33-21-25-42-38(27-33)36-11-5-7-13-41(36)44-42/h1-31H;2*1-27H
InChIKeyHZMQVAQMUBSMJO-UHFFFAOYSA-N
MW1809.35 g/mol
LogP38.12
Rot. Bonds13

About 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole

3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole (PubChem CID 158633685) has the molecular formula C132H85N3S3 and a molecular weight of 1809.35 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
PubChem CID158633685
Molecular FormulaC132H85N3S3
Molecular Weight1809.35 g/mol
Exact Mass1807.59
IUPAC Name3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)c4)c3)c2)cc1
InChIInChI=1S/C48H31NS.2C42H27NS/c1-2-11-32(12-3-1)33-13-8-14-34(27-33)35-15-9-16-36(28-35)37-17-10-18-40(29-37)49-45-21-6-4-19-41(45)43-30-38(23-25-46(43)49)39-24-26-48-44(31-39)42-20-5-7-22-47(42)50-48;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)43-39-17-9-7-15-35(39)37-26-30(19-21-40(37)43)31-20-22-42-38(27-31)36-16-8-10-18-41(36)44-42;1-2-8-28(9-3-1)29-14-16-30(17-15-29)31-18-22-34(23-19-31)43-39-12-6-4-10-35(39)37-26-32(20-24-40(37)43)33-21-25-42-38(27-33)36-11-5-7-13-41(36)44-42/h1-31H;2*1-27H
InChIKeyHZMQVAQMUBSMJO-UHFFFAOYSA-N
XLogP38.12
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms138
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001809.35
LogP ≤ 538.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole (CID 158633685) is 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6sc7ccccc7c6c5)ccc43)c2)cc1.c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7sc8ccccc8c7c6)ccc54)cc3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7ccc8sc9ccccc9c8c7)ccc65)c4)c3)c2)cc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole?
The InChIKey is HZMQVAQMUBSMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS.2C42H27NS/c1-2-11-32(12-3-1)33-13-8-14-34(27-33)35-15-9-16-36(28-35)37-17-10-18-40(29-37)49-45-21-6-4-19-41(45)43-30-38(23-25-46(43)49)39-24-26-48-44(31-39)42-20-5-7-22-47(42)50-48;1-3-11-28(12-4-1)32-23-33(29-13-5-2-6-14-29)25-34(24-32)43-39-17-9-7-15-35(39)37-26-30(19-21-40(37)43)31-20-22-42-38(27-31)36-16-8-10-18-41(36)44-42;1-2-8-28(9-3-1)29-14-16-30(17-15-29)31-18-22-34(23-19-31)43-39-12-6-4-10-35(39)37-26-32(20-24-40(37)43)33-21-25-42-38(27-33)36-11-5-7-13-41(36)44-42/h1-31H;2*1-27H.
What are the key properties of 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole?
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole has a molecular weight of 1809.35 g/mol, XLogP of 38.12, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 158633685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).