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

C148H92N15OPS3 — CID 167563668

IUPAC9-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)nc(-c5ccccc5)c5ccc7nsnc7c56)nc(-c5ccccc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c3c2ccc2nsnc23)cc1
InChIInChI=1S/C51H29N5S.C50H33N5S.C47H30N5OPS/c1-2-12-30(13-3-1)49-41-24-25-44-50(56-57-55-44)48(41)40-23-22-33(28-46(40)52-49)45-29-47(42-26-31-14-4-6-16-34(31)36-18-8-10-20-38(36)42)54-51(53-45)43-27-32-15-5-7-17-35(32)37-19-9-11-21-39(37)43;1-50(2)40-16-10-9-15-36(40)37-23-21-34(27-41(37)50)30-17-19-31(20-18-30)43-29-44(53-49(52-43)33-13-7-4-8-14-33)35-22-24-38-45(28-35)51-47(32-11-5-3-6-12-32)39-25-26-42-48(46(38)39)55-56-54-42;53-54(35-17-9-3-10-18-35,36-19-11-4-12-20-36)37-24-21-31(22-25-37)41-30-42(50-47(49-41)33-15-7-2-8-16-33)34-23-26-38-43(29-34)48-45(32-13-5-1-6-14-32)39-27-28-40-46(44(38)39)52-55-51-40/h1-29H;3-29H,1-2H3;1-30H
InChIKeyDZNQZFDAELCKOV-UHFFFAOYSA-N
MW2223.64 g/mol
LogP36.78
Rot. Bonds16

About 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

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 (PubChem CID 167563668) has the molecular formula C148H92N15OPS3 and a molecular weight of 2223.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID167563668
Molecular FormulaC148H92N15OPS3
Molecular Weight2223.64 g/mol
Exact Mass2221.65
IUPAC Name9-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)nc(-c5ccccc5)c5ccc7nsnc7c56)nc(-c5ccccc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c3c2ccc2nsnc23)cc1
InChIInChI=1S/C51H29N5S.C50H33N5S.C47H30N5OPS/c1-2-12-30(13-3-1)49-41-24-25-44-50(56-57-55-44)48(41)40-23-22-33(28-46(40)52-49)45-29-47(42-26-31-14-4-6-16-34(31)36-18-8-10-20-38(36)42)54-51(53-45)43-27-32-15-5-7-17-35(32)37-19-9-11-21-39(37)43;1-50(2)40-16-10-9-15-36(40)37-23-21-34(27-41(37)50)30-17-19-31(20-18-30)43-29-44(53-49(52-43)33-13-7-4-8-14-33)35-22-24-38-45(28-35)51-47(32-11-5-3-6-12-32)39-25-26-42-48(46(38)39)55-56-54-42;53-54(35-17-9-3-10-18-35,36-19-11-4-12-20-36)37-24-21-31(22-25-37)41-30-42(50-47(49-41)33-15-7-2-8-16-33)34-23-26-38-43(29-34)48-45(32-13-5-1-6-14-32)39-27-28-40-46(44(38)39)52-55-51-40/h1-29H;3-29H,1-2H3;1-30H
InChIKeyDZNQZFDAELCKOV-UHFFFAOYSA-N
XLogP36.78
TPSA210.42 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002223.64
LogP ≤ 536.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-[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
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
6-[4-[3-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383295
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
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
6-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383042
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
9-[4-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1,2,5]thiadiazolo[3,4-k]phenanthridine
CID 165383334
10-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-2-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[2-(4-phenanthren-9-ylphenyl)-6-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline;10-[6-(4-phenanthren-2-ylphenyl)-2-phenylpyrimidin-4-yl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 163571462

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)nc(-c5ccccc5)c5ccc7nsnc7c56)nc(-c5ccccc5)n4)cc3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3ccc5nsnc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4cc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c3c2ccc2nsnc23)cc1.
What is the InChIKey of 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?
The InChIKey is DZNQZFDAELCKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H29N5S.C50H33N5S.C47H30N5OPS/c1-2-12-30(13-3-1)49-41-24-25-44-50(56-57-55-44)48(41)40-23-22-33(28-46(40)52-49)45-29-47(42-26-31-14-4-6-16-34(31)36-18-8-10-20-38(36)42)54-51(53-45)43-27-32-15-5-7-17-35(32)37-19-9-11-21-39(37)43;1-50(2)40-16-10-9-15-36(40)37-23-21-34(27-41(37)50)30-17-19-31(20-18-30)43-29-44(53-49(52-43)33-13-7-4-8-14-33)35-22-24-38-45(28-35)51-47(32-11-5-3-6-12-32)39-25-26-42-48(46(38)39)55-56-54-42;53-54(35-17-9-3-10-18-35,36-19-11-4-12-20-36)37-24-21-31(22-25-37)41-30-42(50-47(49-41)33-15-7-2-8-16-33)34-23-26-38-43(29-34)48-45(32-13-5-1-6-14-32)39-27-28-40-46(44(38)39)52-55-51-40/h1-29H;3-29H,1-2H3;1-30H.
What are the key properties of 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?
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 has a molecular weight of 2223.64 g/mol, XLogP of 36.78, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167563668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).