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

C107H69N12OPS2 — CID 167663767

IUPAC9-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)nc(-c6ccccc6)c6ccc8nsnc8c67)cc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)cc3)n2)cc1
InChIInChI=1S/C55H36N6S.C52H33N6OPS/c1-55(2)45-16-10-9-15-41(45)42-27-25-39(31-46(42)55)33-17-21-37(22-18-33)53-57-52(36-13-7-4-8-14-36)58-54(59-53)38-23-19-34(20-24-38)40-26-28-43-48(32-40)56-50(35-11-5-3-6-12-35)44-29-30-47-51(49(43)44)61-62-60-47;59-60(40-17-9-3-10-18-40,41-19-11-4-12-20-41)42-28-25-38(26-29-42)52-55-50(36-15-7-2-8-16-36)54-51(56-52)37-23-21-34(22-24-37)39-27-30-43-46(33-39)53-48(35-13-5-1-6-14-35)44-31-32-45-49(47(43)44)58-61-57-45/h3-32H,1-2H3;1-33H
InChIKeySIJONFGKTNOGFD-UHFFFAOYSA-N
MW1633.92 g/mol
LogP25.44
Rot. Bonds14

About 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

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 (PubChem CID 167663767) has the molecular formula C107H69N12OPS2 and a molecular weight of 1633.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID167663767
Molecular FormulaC107H69N12OPS2
Molecular Weight1633.92 g/mol
Exact Mass1632.49
IUPAC Name9-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)nc(-c6ccccc6)c6ccc8nsnc8c67)cc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)cc3)n2)cc1
InChIInChI=1S/C55H36N6S.C52H33N6OPS/c1-55(2)45-16-10-9-15-41(45)42-27-25-39(31-46(42)55)33-17-21-37(22-18-33)53-57-52(36-13-7-4-8-14-36)58-54(59-53)38-23-19-34(20-24-38)40-26-28-43-48(32-40)56-50(35-11-5-3-6-12-35)44-29-30-47-51(49(43)44)61-62-60-47;59-60(40-17-9-3-10-18-40,41-19-11-4-12-20-41)42-28-25-38(26-29-42)52-55-50(36-15-7-2-8-16-36)54-51(56-52)37-23-21-34(22-24-37)39-27-30-43-46(33-39)53-48(35-13-5-1-6-14-35)44-31-32-45-49(47(43)44)58-61-57-45/h3-32H,1-2H3;1-33H
InChIKeySIJONFGKTNOGFD-UHFFFAOYSA-N
XLogP25.44
TPSA171.75 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001633.92
LogP ≤ 525.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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-[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
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
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165382951
3-[3-[4-(4-diphenylphosphorylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549903
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc(-c6ccc7c(c6)nc(-c6ccccc6)c6ccc8nsnc8c67)cc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc(-c4ccccc4)c4ccc6nsnc6c45)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is SIJONFGKTNOGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N6S.C52H33N6OPS/c1-55(2)45-16-10-9-15-41(45)42-27-25-39(31-46(42)55)33-17-21-37(22-18-33)53-57-52(36-13-7-4-8-14-36)58-54(59-53)38-23-19-34(20-24-38)40-26-28-43-48(32-40)56-50(35-11-5-3-6-12-35)44-29-30-47-51(49(43)44)61-62-60-47;59-60(40-17-9-3-10-18-40,41-19-11-4-12-20-41)42-28-25-38(26-29-42)52-55-50(36-15-7-2-8-16-36)54-51(56-52)37-23-21-34(22-24-37)39-27-30-43-46(33-39)53-48(35-13-5-1-6-14-35)44-31-32-45-49(47(43)44)58-61-57-45/h3-32H,1-2H3;1-33H.
What are the key properties of 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?
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 has a molecular weight of 1633.92 g/mol, XLogP of 25.44, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167663767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).