methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole

C57H39NS — CID 158753053

IUPACmethane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
SMILESC.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H35NS.CH4/c1-3-15-36(16-4-1)41-24-13-26-48-49-27-14-25-42(56(49)58-55(41)48)39-31-34-52-50(35-39)43-19-11-12-28-51(43)57(52)40-32-29-38(30-33-40)54-46-22-9-7-20-44(46)53(37-17-5-2-6-18-37)45-21-8-10-23-47(45)54;/h1-35H;1H4
InChIKeyINSJSVYOEGZOLR-UHFFFAOYSA-N
MW770.01 g/mol
LogP16.76
Rot. Bonds5

About methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole

methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole (PubChem CID 158753053) has the molecular formula C57H39NS and a molecular weight of 770.01 g/mol. Its IUPAC name is methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole.

Molecular Properties

Compound Namemethane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
PubChem CID158753053
Molecular FormulaC57H39NS
Molecular Weight770.01 g/mol
Exact Mass769.28
IUPAC Namemethane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
SMILESC.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)ccc54)cc3)c3ccccc23)cc1
InChIInChI=1S/C56H35NS.CH4/c1-3-15-36(16-4-1)41-24-13-26-48-49-27-14-25-42(56(49)58-55(41)48)39-31-34-52-50(35-39)43-19-11-12-28-51(43)57(52)40-32-29-38(30-33-40)54-46-22-9-7-20-44(46)53(37-17-5-2-6-18-37)45-21-8-10-23-47(45)54;/h1-35H;1H4
InChIKeyINSJSVYOEGZOLR-UHFFFAOYSA-N
XLogP16.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.01
LogP ≤ 516.76
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

3-(6-phenanthren-2-yldibenzothiophen-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156657
9-[4-(10-phenylanthracen-9-yl)phenyl]-2,7-bis(6-phenyldibenzothiophen-4-yl)carbazole
CID 87156483
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 87156604
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
9-(4-anthracen-9-ylphenyl)-3-dibenzothiophen-4-ylcarbazole
CID 87156422
3-(6-cyclohexa-1,5-dien-1-yldibenzothiophen-4-yl)-9-[4-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87157526
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-(3-phenylphenyl)-9-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]carbazole;3-(3-phenylphenyl)-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 157065974
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396

Frequently Asked Questions

What is the IUPAC name of methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole?
The IUPAC name of methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole (CID 158753053) is methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole.
What is the SMILES notation for methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole?
The canonical SMILES for methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole is C.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6c(-c8ccccc8)cccc67)ccc54)cc3)c3ccccc23)cc1.
What is the InChIKey of methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole?
The InChIKey is INSJSVYOEGZOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS.CH4/c1-3-15-36(16-4-1)41-24-13-26-48-49-27-14-25-42(56(49)58-55(41)48)39-31-34-52-50(35-39)43-19-11-12-28-51(43)57(52)40-32-29-38(30-33-40)54-46-22-9-7-20-44(46)53(37-17-5-2-6-18-37)45-21-8-10-23-47(45)54;/h1-35H;1H4.
What are the key properties of methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole?
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole has a molecular weight of 770.01 g/mol, XLogP of 16.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole is sourced from PubChem (CID 158753053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).