9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole

C56H35NS — CID 174244757

IUPAC9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cc3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6cccc(-c7ccccc7)c6c45)ccc23)cc1
InChIInChI=1S/C56H35NS/c1-3-15-36(16-4-1)41-20-9-10-22-44(41)48-35-40-19-7-8-21-42(40)47-33-38(29-31-45(47)48)39-30-32-51-49(34-39)46-23-11-12-25-50(46)57(51)52-26-14-28-54-56(52)55-43(24-13-27-53(55)58-54)37-17-5-2-6-18-37/h1-35H
InChIKeyVMTFFPODHNRTQT-UHFFFAOYSA-N
MW753.97 g/mol
LogP16.13
Rot. Bonds5

About 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole

9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole (PubChem CID 174244757) has the molecular formula C56H35NS and a molecular weight of 753.97 g/mol. Its IUPAC name is 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole.

Molecular Properties

Compound Name9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole
PubChem CID174244757
Molecular FormulaC56H35NS
Molecular Weight753.97 g/mol
Exact Mass753.25
IUPAC Name9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cc3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6cccc(-c7ccccc7)c6c45)ccc23)cc1
InChIInChI=1S/C56H35NS/c1-3-15-36(16-4-1)41-20-9-10-22-44(41)48-35-40-19-7-8-21-42(40)47-33-38(29-31-45(47)48)39-30-32-51-49(34-39)46-23-11-12-25-50(46)57(51)52-26-14-28-54-56(52)55-43(24-13-27-53(55)58-54)37-17-5-2-6-18-37/h1-35H
InChIKeyVMTFFPODHNRTQT-UHFFFAOYSA-N
XLogP16.13
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.97
LogP ≤ 516.13
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

9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole
CID 170386162
3-(3-anthracen-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90310025
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenanthren-1-ylcarbazole
CID 163630750
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
2-(9-dibenzothiophen-1-yl-7-phenylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243474
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510

Frequently Asked Questions

What is the IUPAC name of 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole?
The IUPAC name of 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole (CID 174244757) is 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole.
What is the SMILES notation for 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole?
The canonical SMILES for 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole is c1ccc(-c2ccccc2-c2cc3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5sc6cccc(-c7ccccc7)c6c45)ccc23)cc1.
What is the InChIKey of 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole?
The InChIKey is VMTFFPODHNRTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NS/c1-3-15-36(16-4-1)41-20-9-10-22-44(41)48-35-40-19-7-8-21-42(40)47-33-38(29-31-45(47)48)39-30-32-51-49(34-39)46-23-11-12-25-50(46)57(51)52-26-14-28-54-56(52)55-43(24-13-27-53(55)58-54)37-17-5-2-6-18-37/h1-35H.
What are the key properties of 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole?
9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole has a molecular weight of 753.97 g/mol, XLogP of 16.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-phenyldibenzothiophen-1-yl)-3-[10-(2-phenylphenyl)phenanthren-3-yl]carbazole is sourced from PubChem (CID 174244757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).