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

C178H117N3S3 — CID 158103298

IUPAC9-[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
SMILESCC(C)(C)c1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc3c(-c3ccccc3)c2c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)ccc34)cc2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc23)cc1
InChIInChI=1S/2C62H39NS.C54H39NS/c1-3-18-40(19-4-1)44-22-7-9-26-49(44)60-51-28-11-12-29-52(51)61(50-27-10-8-23-45(50)41-20-5-2-6-21-41)56-39-43(35-36-53(56)60)63-57-32-15-13-24-47(57)55-38-42(34-37-58(55)63)46-30-17-31-54-48-25-14-16-33-59(48)64-62(46)54;1-3-14-40(15-4-1)42-26-30-44(31-27-42)60-51-20-7-8-21-52(51)61(45-32-28-43(29-33-45)41-16-5-2-6-17-41)56-39-47(35-36-53(56)60)63-57-24-11-9-18-49(57)55-38-46(34-37-58(55)63)48-22-13-23-54-50-19-10-12-25-59(50)64-62(48)54;1-54(2,3)37-27-30-44-47(33-37)52(34-14-5-4-6-15-34)43-19-8-7-18-42(43)51(44)35-24-28-38(29-25-35)55-48-22-11-9-16-40(48)46-32-36(26-31-49(46)55)39-20-13-21-45-41-17-10-12-23-50(41)56-53(39)45/h2*1-39H;4-33H,1-3H3
InChIKeyFPNLEXSWCRTRAT-UHFFFAOYSA-N
MW2394.12 g/mol
LogP51.34
Rot. Bonds16

About 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

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 (PubChem CID 158103298) has the molecular formula C178H117N3S3 and a molecular weight of 2394.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID158103298
Molecular FormulaC178H117N3S3
Molecular Weight2394.12 g/mol
Exact Mass2391.84
IUPAC Name9-[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
SMILESCC(C)(C)c1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc3c(-c3ccccc3)c2c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)ccc34)cc2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc23)cc1
InChIInChI=1S/2C62H39NS.C54H39NS/c1-3-18-40(19-4-1)44-22-7-9-26-49(44)60-51-28-11-12-29-52(51)61(50-27-10-8-23-45(50)41-20-5-2-6-21-41)56-39-43(35-36-53(56)60)63-57-32-15-13-24-47(57)55-38-42(34-37-58(55)63)46-30-17-31-54-48-25-14-16-33-59(48)64-62(46)54;1-3-14-40(15-4-1)42-26-30-44(31-27-42)60-51-20-7-8-21-52(51)61(45-32-28-43(29-33-45)41-16-5-2-6-17-41)56-39-47(35-36-53(56)60)63-57-24-11-9-18-49(57)55-38-46(34-37-58(55)63)48-22-13-23-54-50-19-10-12-25-59(50)64-62(48)54;1-54(2,3)37-27-30-44-47(33-37)52(34-14-5-4-6-15-34)43-19-8-7-18-42(43)51(44)35-24-28-38(29-25-35)55-48-22-11-9-16-40(48)46-32-36(26-31-49(46)55)39-20-13-21-45-41-17-10-12-23-50(41)56-53(39)45/h2*1-39H;4-33H,1-3H3
InChIKeyFPNLEXSWCRTRAT-UHFFFAOYSA-N
XLogP51.34
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms184
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002394.12
LogP ≤ 551.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

9-[9,10-bis(4-methylphenyl)anthracen-2-yl]-3-dibenzothiophen-4-ylcarbazole
CID 87156566
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
2-dibenzothiophen-4-yl-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156373
3-dibenzothiophen-4-yl-9-[2-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 158750427
2,7-di(dibenzothiophen-4-yl)-9-(9,10-diphenylanthracen-2-yl)carbazole
CID 87156510
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
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
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
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604
12-[4-[4-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167193410

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc3c(-c3ccccc3)c2c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)ccc34)cc2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)ccc23)cc1.
What is the InChIKey of 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?
The InChIKey is FPNLEXSWCRTRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C62H39NS.C54H39NS/c1-3-18-40(19-4-1)44-22-7-9-26-49(44)60-51-28-11-12-29-52(51)61(50-27-10-8-23-45(50)41-20-5-2-6-21-41)56-39-43(35-36-53(56)60)63-57-32-15-13-24-47(57)55-38-42(34-37-58(55)63)46-30-17-31-54-48-25-14-16-33-59(48)64-62(46)54;1-3-14-40(15-4-1)42-26-30-44(31-27-42)60-51-20-7-8-21-52(51)61(45-32-28-43(29-33-45)41-16-5-2-6-17-41)56-39-47(35-36-53(56)60)63-57-24-11-9-18-49(57)55-38-46(34-37-58(55)63)48-22-13-23-54-50-19-10-12-25-59(50)64-62(48)54;1-54(2,3)37-27-30-44-47(33-37)52(34-14-5-4-6-15-34)43-19-8-7-18-42(43)51(44)35-24-28-38(29-25-35)55-48-22-11-9-16-40(48)46-32-36(26-31-49(46)55)39-20-13-21-45-41-17-10-12-23-50(41)56-53(39)45/h2*1-39H;4-33H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2394.12 g/mol, XLogP of 51.34, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158103298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).