9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole

C38H23NS — CID 87156475

IUPAC9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2cc3cc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc3cc2c1
InChIInChI=1S/C38H23NS/c1-2-9-25-21-28-22-29(18-16-26(28)20-24(25)8-1)39-35-14-5-3-10-31(35)34-23-27(17-19-36(34)39)30-12-7-13-33-32-11-4-6-15-37(32)40-38(30)33/h1-23H
InChIKeyMMSSFGYUSFMCJO-UHFFFAOYSA-N
MW525.68 g/mol
LogP11.12
Rot. Bonds2

About 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole

9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole (PubChem CID 87156475) has the molecular formula C38H23NS and a molecular weight of 525.68 g/mol. Its IUPAC name is 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole.

Molecular Properties

Compound Name9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
PubChem CID87156475
Molecular FormulaC38H23NS
Molecular Weight525.68 g/mol
Exact Mass525.16
IUPAC Name9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole
SMILESc1ccc2cc3cc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc3cc2c1
InChIInChI=1S/C38H23NS/c1-2-9-25-21-28-22-29(18-16-26(28)20-24(25)8-1)39-35-14-5-3-10-31(35)34-23-27(17-19-36(34)39)30-12-7-13-33-32-11-4-6-15-37(32)40-38(30)33/h1-23H
InChIKeyMMSSFGYUSFMCJO-UHFFFAOYSA-N
XLogP11.12
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
CID 87156422
3-dibenzothiophen-4-yl-9-(4-phenanthren-9-ylphenyl)carbazole
CID 87156674
3-dibenzothiophen-4-yl-9-perylen-2-ylcarbazole
CID 87156361
9-anthracen-1-yl-3-dibenzothiophen-4-ylcarbazole
CID 90180755
2-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)-9-naphthalen-2-ylcarbazole
CID 163886851
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-dibenzothiophen-4-yl-9-[3-[5-(3-dibenzothiophen-4-ylcarbazol-9-yl)-2-fluorophenyl]-4-fluorophenyl]carbazole
CID 71004833
2-(9-dibenzothiophen-4-ylcarbazol-3-yl)-5-naphthalen-2-ylbenzo[b]carbazole
CID 167243986
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
3-dibenzothiophen-4-yl-9-(3-pyren-1-ylphenyl)carbazole
CID 87156414
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-dibenzothiophen-4-yl-9-[3-[6-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole
CID 153214639

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole?
The IUPAC name of 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole (CID 87156475) is 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole.
What is the SMILES notation for 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole?
The canonical SMILES for 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole is c1ccc2cc3cc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc3cc2c1.
What is the InChIKey of 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole?
The InChIKey is MMSSFGYUSFMCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NS/c1-2-9-25-21-28-22-29(18-16-26(28)20-24(25)8-1)39-35-14-5-3-10-31(35)34-23-27(17-19-36(34)39)30-12-7-13-33-32-11-4-6-15-37(32)40-38(30)33/h1-23H.
What are the key properties of 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole?
9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole has a molecular weight of 525.68 g/mol, XLogP of 11.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-2-yl-3-dibenzothiophen-4-ylcarbazole is sourced from PubChem (CID 87156475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).