2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

C30H17Br2NS — CID 89448369

IUPAC2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESBrc1cc(Br)cc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccccc2)c1
InChIInChI=1S/C30H17Br2NS/c31-20-14-19(15-21(32)17-20)18-10-12-26-25(16-18)29-27(33(26)22-6-2-1-3-7-22)13-11-24-23-8-4-5-9-28(23)34-30(24)29/h1-17H
InChIKeyOPBDCQSVZIQNPY-UHFFFAOYSA-N
MW583.35 g/mol
LogP10.34
Rot. Bonds2

About 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole

2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 89448369) has the molecular formula C30H17Br2NS and a molecular weight of 583.35 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
PubChem CID89448369
Molecular FormulaC30H17Br2NS
Molecular Weight583.35 g/mol
Exact Mass580.94
IUPAC Name2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole
SMILESBrc1cc(Br)cc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccccc2)c1
InChIInChI=1S/C30H17Br2NS/c31-20-14-19(15-21(32)17-20)18-10-12-26-25(16-18)29-27(33(26)22-6-2-1-3-7-22)13-11-24-23-8-4-5-9-28(23)34-30(24)29/h1-17H
InChIKeyOPBDCQSVZIQNPY-UHFFFAOYSA-N
XLogP10.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.35
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 68016359
CID 68016359
CID 68230343
CID 68230343
CID 68230375
CID 68230375
CID 87411945
CID 87411945
CID 88555006
CID 88555006
CID 89341628
CID 89341628
CID 89341695
CID 89341695
CID 89531443
CID 89531443
CID 89531460
CID 89531460
CID 90193920
CID 90193920
CID 90193955
CID 90193955
CID 90193960
CID 90193960

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The IUPAC name of 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole (CID 89448369) is 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole.
What is the SMILES notation for 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The canonical SMILES for 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is Brc1cc(Br)cc(-c2ccc3c(c2)c2c4sc5ccccc5c4ccc2n3-c2ccccc2)c1.
What is the InChIKey of 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
The InChIKey is OPBDCQSVZIQNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17Br2NS/c31-20-14-19(15-21(32)17-20)18-10-12-26-25(16-18)29-27(33(26)22-6-2-1-3-7-22)13-11-24-23-8-4-5-9-28(23)34-30(24)29/h1-17H.
What are the key properties of 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole?
2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 583.35 g/mol, XLogP of 10.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-5-phenyl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 89448369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).