9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine

C108H70N11OPS2 — CID 167677666

IUPAC9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)nc(-c6ccccc6)c6ccc8nsnc8c67)c5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C55H36N6S.C53H34N5OPS/c1-55(2)45-19-10-9-18-41(45)42-26-24-38(31-46(42)55)33-20-22-36(23-21-33)53-57-52(35-14-7-4-8-15-35)58-54(59-53)40-17-11-16-37(30-40)39-25-27-43-48(32-39)56-50(34-12-5-3-6-13-34)44-28-29-47-51(49(43)44)61-62-60-47;59-60(41-20-9-3-10-21-41,42-22-11-4-12-23-42)43-27-24-35(25-28-43)47-34-48(56-53(55-47)37-16-7-2-8-17-37)40-19-13-18-38(32-40)39-26-29-44-49(33-39)54-51(36-14-5-1-6-15-36)45-30-31-46-52(50(44)45)58-61-57-46/h3-32H,1-2H3;1-34H
InChIKeyVBENNSQSOJCJRH-UHFFFAOYSA-N
MW1632.93 g/mol
LogP26.04
Rot. Bonds14

About 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine

9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine (PubChem CID 167677666) has the molecular formula C108H70N11OPS2 and a molecular weight of 1632.93 g/mol. Its IUPAC name is 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine.

Molecular Properties

Compound Name9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
PubChem CID167677666
Molecular FormulaC108H70N11OPS2
Molecular Weight1632.93 g/mol
Exact Mass1631.49
IUPAC Name9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)nc(-c6ccccc6)c6ccc8nsnc8c67)c5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C55H36N6S.C53H34N5OPS/c1-55(2)45-19-10-9-18-41(45)42-26-24-38(31-46(42)55)33-20-22-36(23-21-33)53-57-52(35-14-7-4-8-15-35)58-54(59-53)40-17-11-16-37(30-40)39-25-27-43-48(32-39)56-50(34-12-5-3-6-13-34)44-28-29-47-51(49(43)44)61-62-60-47;59-60(41-20-9-3-10-21-41,42-22-11-4-12-23-42)43-27-24-35(25-28-43)47-34-48(56-53(55-47)37-16-7-2-8-17-37)40-19-13-18-38(32-40)39-26-29-44-49(33-39)54-51(36-14-5-1-6-15-36)45-30-31-46-52(50(44)45)58-61-57-46/h3-32H,1-2H3;1-34H
InChIKeyVBENNSQSOJCJRH-UHFFFAOYSA-N
XLogP26.04
TPSA158.86 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.93
LogP ≤ 526.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine with MolForge

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Related Compounds

9-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167663767
9-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167563668
9-[4-[6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167704367
6-[4-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383072
2-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;2-[4-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 158755983
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;6-phenyl-9-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 167539265
6-phenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165382853
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383129
9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383402
3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine;3-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]-6,10-diphenylphenanthridine;3-(2,6-diphenylpyrimidin-4-yl)-6,10-diphenylphenanthridine
CID 158374986
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
9-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383334

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The IUPAC name of 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine (CID 167677666) is 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine.
What is the SMILES notation for 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The canonical SMILES for 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc7c(c6)nc(-c6ccccc6)c6ccc8nsnc8c67)c5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3cccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
The InChIKey is VBENNSQSOJCJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6S.C53H34N5OPS/c1-55(2)45-19-10-9-18-41(45)42-26-24-38(31-46(42)55)33-20-22-36(23-21-33)53-57-52(35-14-7-4-8-15-35)58-54(59-53)40-17-11-16-37(30-40)39-25-27-43-48(32-39)56-50(34-12-5-3-6-13-34)44-28-29-47-51(49(43)44)61-62-60-47;59-60(41-20-9-3-10-21-41,42-22-11-4-12-23-42)43-27-24-35(25-28-43)47-34-48(56-53(55-47)37-16-7-2-8-17-37)40-19-13-18-38(32-40)39-26-29-44-49(33-39)54-51(36-14-5-1-6-15-36)45-30-31-46-52(50(44)45)58-61-57-46/h3-32H,1-2H3;1-34H.
What are the key properties of 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine?
9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine has a molecular weight of 1632.93 g/mol, XLogP of 26.04, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine;9-[3-[6-(4-diphenylphosphorylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine is sourced from PubChem (CID 167677666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).