9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole

C42H25NS2 — CID 149106445

IUPAC9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)c3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1
InChIInChI=1S/C42H25NS2/c1-2-11-26(12-3-1)29-24-23-28(27-21-22-33-32-15-6-9-20-38(32)44-39(33)25-27)40-34-16-10-19-37(41(34)45-42(29)40)43-35-17-7-4-13-30(35)31-14-5-8-18-36(31)43/h1-25H
InChIKeyQVTHJVSAQRZUHM-UHFFFAOYSA-N
MW607.80 g/mol
LogP12.85
Rot. Bonds3

About 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole

9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole (PubChem CID 149106445) has the molecular formula C42H25NS2 and a molecular weight of 607.80 g/mol. Its IUPAC name is 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Name9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole
PubChem CID149106445
Molecular FormulaC42H25NS2
Molecular Weight607.80 g/mol
Exact Mass607.14
IUPAC Name9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole
SMILESc1ccc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)c3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1
InChIInChI=1S/C42H25NS2/c1-2-11-26(12-3-1)29-24-23-28(27-21-22-33-32-15-6-9-20-38(32)44-39(33)25-27)40-34-16-10-19-37(41(34)45-42(29)40)43-35-17-7-4-13-30(35)31-14-5-8-18-36(31)43/h1-25H
InChIKeyQVTHJVSAQRZUHM-UHFFFAOYSA-N
XLogP12.85
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-dimethylcarbazole;9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-4-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 159688864
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyldibenzothiophen-4-yl]-[1]benzothiolo[2,3-a]carbazole
CID 156574802
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
5,11-bis(4-dibenzothiophen-3-ylnaphthalen-1-yl)indolo[3,2-b]carbazole
CID 170393963
2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole
CID 170386169

Frequently Asked Questions

What is the IUPAC name of 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole?
The IUPAC name of 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole (CID 149106445) is 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole.
What is the SMILES notation for 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole?
The canonical SMILES for 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole is c1ccc(-c2ccc(-c3ccc4c(c3)sc3ccccc34)c3c2sc2c(-n4c5ccccc5c5ccccc54)cccc23)cc1.
What is the InChIKey of 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole?
The InChIKey is QVTHJVSAQRZUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25NS2/c1-2-11-26(12-3-1)29-24-23-28(27-21-22-33-32-15-6-9-20-38(32)44-39(33)25-27)40-34-16-10-19-37(41(34)45-42(29)40)43-35-17-7-4-13-30(35)31-14-5-8-18-36(31)43/h1-25H.
What are the key properties of 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole?
9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole has a molecular weight of 607.80 g/mol, XLogP of 12.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 149106445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).