2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole

C29H19NS — CID 126631809

IUPAC2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
SMILESCn1c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2c2cc3ccccc3cc21
InChIInChI=1S/C29H19NS/c1-30-26-13-11-20(15-24(26)25-14-18-6-2-3-7-19(18)16-27(25)30)21-10-12-23-22-8-4-5-9-28(22)31-29(23)17-21/h2-17H,1H3
InChIKeyCTCKSQDAHCTDJT-UHFFFAOYSA-N
MW413.55 g/mol
LogP8.52
Rot. Bonds1

About 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole

2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole (PubChem CID 126631809) has the molecular formula C29H19NS and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
PubChem CID126631809
Molecular FormulaC29H19NS
Molecular Weight413.55 g/mol
Exact Mass413.12
IUPAC Name2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
SMILESCn1c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2c2cc3ccccc3cc21
InChIInChI=1S/C29H19NS/c1-30-26-13-11-20(15-24(26)25-14-18-6-2-3-7-19(18)16-27(25)30)21-10-12-23-22-8-4-5-9-28(22)31-29(23)17-21/h2-17H,1H3
InChIKeyCTCKSQDAHCTDJT-UHFFFAOYSA-N
XLogP8.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-[5-[7-[5-(9-methylcarbazol-3-yl)thiophen-2-yl]dibenzothiophen-3-yl]thiophen-2-yl]carbazole
CID 134392036
7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169027876
11-methyl-3-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 169027644
ethene;2-[9-methyl-7-(9-phenylcarbazol-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 144919767
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
11-dibenzothiophen-3-yl-8-phenyl-1,8-diazahexacyclo[11.10.1.02,7.09,24.014,23.016,21]tetracosa-2,4,6,9,11,13(24),14,16,18,20,22-undecaene
CID 163962043
5-methyl-2-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 138662748
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
7-(10-naphthalen-2-ylanthracen-9-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122415909
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole?
The IUPAC name of 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole (CID 126631809) is 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole.
What is the SMILES notation for 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole?
The canonical SMILES for 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole is Cn1c2ccc(-c3ccc4c(c3)sc3ccccc34)cc2c2cc3ccccc3cc21.
What is the InChIKey of 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole?
The InChIKey is CTCKSQDAHCTDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19NS/c1-30-26-13-11-20(15-24(26)25-14-18-6-2-3-7-19(18)16-27(25)30)21-10-12-23-22-8-4-5-9-28(22)31-29(23)17-21/h2-17H,1H3.
What are the key properties of 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole?
2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole has a molecular weight of 413.55 g/mol, XLogP of 8.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole is sourced from PubChem (CID 126631809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).