4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole

C34H21NS — CID 142572200

IUPAC4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc5c4[nH]c4cc6ccccc6cc45)cccc23)cc1
InChIInChI=1S/C34H21NS/c1-2-9-21(10-3-1)24-13-6-17-28-29-18-8-16-27(34(29)36-33(24)28)25-14-7-15-26-30-19-22-11-4-5-12-23(22)20-31(30)35-32(25)26/h1-20,35H
InChIKeyRIURRVXLEDVSAE-UHFFFAOYSA-N
MW475.62 g/mol
LogP10.18
Rot. Bonds2

About 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole

4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole (PubChem CID 142572200) has the molecular formula C34H21NS and a molecular weight of 475.62 g/mol. Its IUPAC name is 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole.

Molecular Properties

Compound Name4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole
PubChem CID142572200
Molecular FormulaC34H21NS
Molecular Weight475.62 g/mol
Exact Mass475.14
IUPAC Name4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole
SMILESc1ccc(-c2cccc3c2sc2c(-c4cccc5c4[nH]c4cc6ccccc6cc45)cccc23)cc1
InChIInChI=1S/C34H21NS/c1-2-9-21(10-3-1)24-13-6-17-28-29-18-8-16-27(34(29)36-33(24)28)25-14-7-15-26-30-19-22-11-4-5-12-23(22)20-31(30)35-32(25)26/h1-20,35H
InChIKeyRIURRVXLEDVSAE-UHFFFAOYSA-N
XLogP10.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 510.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
4-[3-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzothiol-8-yl]-5H-benzo[b]carbazole
CID 142570011
N-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 121296524
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
CID 174018253
CID 174018253
10-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122425736
10-[4-(4-bromophenyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 118616636
8-dibenzothiophen-4-yl-N,N-diphenyl-9H-carbazol-3-amine
CID 154697104
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
2-phenyl-4-(3-phenylphenyl)-6-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 118650922
7-phenyl-11-thia-3-azapentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2(10),4(9),5,7,13,15,17,19-nonaene
CID 144609075
10-(3-bromo-5-phenylphenyl)naphtho[1,2-b][1]benzothiole
CID 118616658

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole?
The IUPAC name of 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole (CID 142572200) is 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole.
What is the SMILES notation for 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole?
The canonical SMILES for 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole is c1ccc(-c2cccc3c2sc2c(-c4cccc5c4[nH]c4cc6ccccc6cc45)cccc23)cc1.
What is the InChIKey of 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole?
The InChIKey is RIURRVXLEDVSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS/c1-2-9-21(10-3-1)24-13-6-17-28-29-18-8-16-27(34(29)36-33(24)28)25-14-7-15-26-30-19-22-11-4-5-12-23(22)20-31(30)35-32(25)26/h1-20,35H.
What are the key properties of 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole?
4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole has a molecular weight of 475.62 g/mol, XLogP of 10.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenyldibenzothiophen-4-yl)-5H-benzo[b]carbazole is sourced from PubChem (CID 142572200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).