9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole

C36H23NS2 — CID 170278418

IUPAC9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cc(-c4cccc5sc6ccccc6c45)ccc23)CC1
InChIInChI=1S/C36H23NS2/c1-4-14-29-24(9-1)25-10-2-5-15-30(25)37(29)31-16-7-13-27-26-20-19-22(21-34(26)39-36(27)31)23-12-8-18-33-35(23)28-11-3-6-17-32(28)38-33/h1,3-9,11-21H,2,10H2
InChIKeyMEHGLJVRHIYBEL-UHFFFAOYSA-N
MW533.72 g/mol
LogP10.99
Rot. Bonds2

About 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole

9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole (PubChem CID 170278418) has the molecular formula C36H23NS2 and a molecular weight of 533.72 g/mol. Its IUPAC name is 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole.

Molecular Properties

Compound Name9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
PubChem CID170278418
Molecular FormulaC36H23NS2
Molecular Weight533.72 g/mol
Exact Mass533.13
IUPAC Name9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
SMILESC1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cc(-c4cccc5sc6ccccc6c45)ccc23)CC1
InChIInChI=1S/C36H23NS2/c1-4-14-29-24(9-1)25-10-2-5-15-30(25)37(29)31-16-7-13-27-26-20-19-22(21-34(26)39-36(27)31)23-12-8-18-33-35(23)28-11-3-6-17-32(28)38-33/h1,3-9,11-21H,2,10H2
InChIKeyMEHGLJVRHIYBEL-UHFFFAOYSA-N
XLogP10.99
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.72
LogP ≤ 510.99
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-(9-dibenzothiophen-4-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 155027642
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
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-[9-[9-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-3-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962411
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)carbazole
CID 149106445
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
12-naphthalen-1-yl-7-(9-phenyl-5,6-dihydrocarbazol-3-yl)-[1]benzothiolo[3,2-a]carbazole
CID 167148599
9-[7-[7-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-3,4-dihydrocarbazole
CID 166962970
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole?
The IUPAC name of 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole (CID 170278418) is 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole.
What is the SMILES notation for 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole?
The canonical SMILES for 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole is C1=Cc2c(c3ccccc3n2-c2cccc3c2sc2cc(-c4cccc5sc6ccccc6c45)ccc23)CC1.
What is the InChIKey of 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole?
The InChIKey is MEHGLJVRHIYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NS2/c1-4-14-29-24(9-1)25-10-2-5-15-30(25)37(29)31-16-7-13-27-26-20-19-22(21-34(26)39-36(27)31)23-12-8-18-33-35(23)28-11-3-6-17-32(28)38-33/h1,3-9,11-21H,2,10H2.
What are the key properties of 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole?
9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole has a molecular weight of 533.72 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole is sourced from PubChem (CID 170278418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).