2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole

C50H31NS — CID 87156373

IUPAC2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)ccc23)cc1
InChIInChI=1S/C50H31NS/c1-3-14-32(15-4-1)48-40-20-7-8-21-41(40)49(33-16-5-2-6-17-33)44-31-35(27-29-42(44)48)51-45-24-11-9-18-37(45)38-28-26-34(30-46(38)51)36-22-13-23-43-39-19-10-12-25-47(39)52-50(36)43/h1-31H
InChIKeyNPFXBAOGTUBPEQ-UHFFFAOYSA-N
MW677.87 g/mol
LogP14.46
Rot. Bonds4

About 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole

2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole (PubChem CID 87156373) has the molecular formula C50H31NS and a molecular weight of 677.87 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
PubChem CID87156373
Molecular FormulaC50H31NS
Molecular Weight677.87 g/mol
Exact Mass677.22
IUPAC Name2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)ccc23)cc1
InChIInChI=1S/C50H31NS/c1-3-14-32(15-4-1)48-40-20-7-8-21-41(40)49(33-16-5-2-6-17-33)44-31-35(27-29-42(44)48)51-45-24-11-9-18-37(45)38-28-26-34(30-46(38)51)36-22-13-23-43-39-19-10-12-25-47(39)52-50(36)43/h1-31H
InChIKeyNPFXBAOGTUBPEQ-UHFFFAOYSA-N
XLogP14.46
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.87
LogP ≤ 514.46
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

2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156510
9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole
CID 87156483
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604
9-[9,10-bis(2-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole;9-[4-(3-tert-butyl-10-phenylanthracen-9-yl)phenyl]-3-dibenzothiophen-4-ylcarbazole
CID 158103298
2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;2,7-bis(2,8-diphenyldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3,6-di(dibenzothiophen-4-yl)-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzothiophen-4-yl)carbazole;9-[3-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 161294755
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-2-methyl-9-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole
CID 87171646

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
The IUPAC name of 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole (CID 87156373) is 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole.
What is the SMILES notation for 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
The canonical SMILES for 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-n4c5ccccc5c5ccc(-c6cccc7c6sc6ccccc67)cc54)ccc23)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
The InChIKey is NPFXBAOGTUBPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NS/c1-3-14-32(15-4-1)48-40-20-7-8-21-41(40)49(33-16-5-2-6-17-33)44-31-35(27-29-42(44)48)51-45-24-11-9-18-37(45)38-28-26-34(30-46(38)51)36-22-13-23-43-39-19-10-12-25-47(39)52-50(36)43/h1-31H.
What are the key properties of 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole?
2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole has a molecular weight of 677.87 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole is sourced from PubChem (CID 87156373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).