9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole

C37H26N2S — CID 163468163

IUPAC9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C37H26N2S/c1-23-9-8-15-34-37(23)28-12-3-6-14-32(28)39(34)24-17-19-33-29(21-24)26-10-2-5-13-31(26)38(33)25-18-20-36-30(22-25)27-11-4-7-16-35(27)40-36/h2-8,10-23H,9H2,1H3
InChIKeyBUISCXYETCQCLW-UHFFFAOYSA-N
MW530.70 g/mol
LogP10.62
Rot. Bonds2

About 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole

9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole (PubChem CID 163468163) has the molecular formula C37H26N2S and a molecular weight of 530.70 g/mol. Its IUPAC name is 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
PubChem CID163468163
Molecular FormulaC37H26N2S
Molecular Weight530.70 g/mol
Exact Mass530.18
IUPAC Name9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
SMILESCC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1
InChIInChI=1S/C37H26N2S/c1-23-9-8-15-34-37(23)28-12-3-6-14-32(28)39(34)24-17-19-33-29(21-24)26-10-2-5-13-31(26)38(33)25-18-20-36-30(22-25)27-11-4-7-16-35(27)40-36/h2-8,10-23H,9H2,1H3
InChIKeyBUISCXYETCQCLW-UHFFFAOYSA-N
XLogP10.62
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.70
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzothiophen-4-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 139397505
3-carbazol-9-yl-9-dibenzofuran-4-yl-6-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole
CID 163632784
9-(8-carbazol-9-yldibenzothiophen-2-yl)carbazole
CID 59348313
CID 144619443
CID 144619443
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(9-methylcarbazol-3-yl)carbazole
CID 71232770
3-[3-carbazol-9-yl-5-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-9-dibenzothiophen-2-ylcarbazole
CID 122472183
7-(9-phenylcarbazol-3-yl)-[1]benzothiolo[2,3-b]carbazole
CID 89472332
3-carbazol-9-yl-9-dibenzothiophen-2-yl-6-(6,9-diphenylcarbazol-3-yl)carbazole
CID 71232534
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
9-(7-dibenzothiophen-2-yldibenzothiophen-2-yl)carbazole
CID 170278398
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(2,4,6-trimethylphenyl)carbazole
CID 71232544
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[9-(2,4,6-trimethylphenyl)carbazol-3-yl]carbazole
CID 71232829

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole (CID 163468163) is 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole is CC1CC=Cc2c1c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2sc3ccccc3c2c1.
What is the InChIKey of 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
The InChIKey is BUISCXYETCQCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2S/c1-23-9-8-15-34-37(23)28-12-3-6-14-32(28)39(34)24-17-19-33-29(21-24)26-10-2-5-13-31(26)38(33)25-18-20-36-30(22-25)27-11-4-7-16-35(27)40-36/h2-8,10-23H,9H2,1H3.
What are the key properties of 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole?
9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole has a molecular weight of 530.70 g/mol, XLogP of 10.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-2-yl-3-(4-methyl-3,4-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 163468163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).