3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole

C48H29NS — CID 87156299

IUPAC3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C48H29NS/c1-2-12-30(13-3-1)33-19-10-21-41-42-22-11-20-34(48(42)50-47(33)41)31-24-27-46-44(28-31)40-18-8-9-23-45(40)49(46)32-25-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)29-32/h1-29H
InChIKeyLJYQIBNZPQOSTJ-UHFFFAOYSA-N
MW651.83 g/mol
LogP13.95
Rot. Bonds3

About 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole

3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole (PubChem CID 87156299) has the molecular formula C48H29NS and a molecular weight of 651.83 g/mol. Its IUPAC name is 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole.

Molecular Properties

Compound Name3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
PubChem CID87156299
Molecular FormulaC48H29NS
Molecular Weight651.83 g/mol
Exact Mass651.20
IUPAC Name3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
SMILESc1ccc(-c2cccc3c2sc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1
InChIInChI=1S/C48H29NS/c1-2-12-30(13-3-1)33-19-10-21-41-42-22-11-20-34(48(42)50-47(33)41)31-24-27-46-44(28-31)40-18-8-9-23-45(40)49(46)32-25-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)29-32/h1-29H
InChIKeyLJYQIBNZPQOSTJ-UHFFFAOYSA-N
XLogP13.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.83
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
10-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole;10-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-12-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 160750252
5-(4-dibenzothiophen-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenylindolo[2,3-b]carbazole;9-phenyl-3-triphenylen-2-ylcarbazole;9-(3-triphenylen-2-ylphenyl)carbazole
CID 160956728
3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 160959222
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
4-[6-(4-carbazol-9-ylphenyl)-9-triphenylen-2-ylcarbazol-3-yl]-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 89492129
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
3-(6-phenanthren-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156657
5,9-diphenyl-3-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 134369810
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole?
The IUPAC name of 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole (CID 87156299) is 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole.
What is the SMILES notation for 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole?
The canonical SMILES for 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole is c1ccc(-c2cccc3c2sc2c(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)cc1.
What is the InChIKey of 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole?
The InChIKey is LJYQIBNZPQOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NS/c1-2-12-30(13-3-1)33-19-10-21-41-42-22-11-20-34(48(42)50-47(33)41)31-24-27-46-44(28-31)40-18-8-9-23-45(40)49(46)32-25-26-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)43(39)29-32/h1-29H.
What are the key properties of 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole?
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole has a molecular weight of 651.83 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole is sourced from PubChem (CID 87156299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).