11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole

C56H35N5S — CID 147401604

IUPAC11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cnc3-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C56H35N5S/c1-5-17-36(18-6-1)42-30-29-40(31-45(42)37-19-7-2-8-20-37)41-32-48(55-59-53(38-21-9-3-10-22-38)58-54(60-55)39-23-11-4-12-24-39)56(57-35-41)61-49-27-15-13-25-43(49)46-34-52-47(33-50(46)61)44-26-14-16-28-51(44)62-52/h1-35H
InChIKeyDOWCCLZEZWRWQL-UHFFFAOYSA-N
MW810.00 g/mol
LogP14.73
Rot. Bonds7

About 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole

11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole (PubChem CID 147401604) has the molecular formula C56H35N5S and a molecular weight of 810.00 g/mol. Its IUPAC name is 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
PubChem CID147401604
Molecular FormulaC56H35N5S
Molecular Weight810.00 g/mol
Exact Mass809.26
IUPAC Name11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cnc3-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1
InChIInChI=1S/C56H35N5S/c1-5-17-36(18-6-1)42-30-29-40(31-45(42)37-19-7-2-8-20-37)41-32-48(55-59-53(38-21-9-3-10-22-38)58-54(60-55)39-23-11-4-12-24-39)56(57-35-41)61-49-27-15-13-25-43(49)46-34-52-47(33-50(46)61)44-26-14-16-28-51(44)62-52/h1-35H
InChIKeyDOWCCLZEZWRWQL-UHFFFAOYSA-N
XLogP14.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.00
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylphenyl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 153460232
2-[4-(2,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153459818
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153460421
2-[4-(3,4-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 153459863
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole
CID 67472142
2-[4-(3,5-diphenylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 153460200
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-3,6-diphenylcarbazole
CID 153460267
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-2-pyridinyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 153459540
11-[5-([1]benzothiolo[3,2-b]carbazol-11-yl)-3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)ethyl]-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 168783959
11-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 149371040
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylphenyl)phenyl]-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 153460253
8-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-b]carbazole
CID 164811888

Frequently Asked Questions

What is the IUPAC name of 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
The IUPAC name of 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole (CID 147401604) is 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole.
What is the SMILES notation for 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
The canonical SMILES for 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)cnc3-n3c4ccccc4c4cc5sc6ccccc6c5cc43)n2)cc1.
What is the InChIKey of 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
The InChIKey is DOWCCLZEZWRWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5S/c1-5-17-36(18-6-1)42-30-29-40(31-45(42)37-19-7-2-8-20-37)41-32-48(55-59-53(38-21-9-3-10-22-38)58-54(60-55)39-23-11-4-12-24-39)56(57-35-41)61-49-27-15-13-25-43(49)46-34-52-47(33-50(46)61)44-26-14-16-28-51(44)62-52/h1-35H.
What are the key properties of 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole?
11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole has a molecular weight of 810.00 g/mol, XLogP of 14.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[5-(3,4-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-[1]benzothiolo[3,2-b]carbazole is sourced from PubChem (CID 147401604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).