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

C152H99N11 — CID 158374986

IUPAC3-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)n4)cc3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C56H34N4.C55H38N4.C41H27N3/c1-3-16-35(17-4-1)42-28-15-29-48-52(42)47-31-30-39(34-51(47)57-53(48)36-18-5-2-6-19-36)54-58-55(49-32-37-20-7-9-22-40(37)43-24-11-13-26-45(43)49)60-56(59-54)50-33-38-21-8-10-23-41(38)44-25-12-14-27-46(44)50;1-55(2)47-24-13-12-21-43(47)44-31-29-40(33-48(44)55)35-25-27-39(28-26-35)53-57-52(38-19-10-5-11-20-38)58-54(59-53)41-30-32-45-49(34-41)56-51(37-17-8-4-9-18-37)46-23-14-22-42(50(45)46)36-15-6-3-7-16-36;1-5-14-28(15-6-1)33-22-13-23-35-39(33)34-25-24-32(26-38(34)42-40(35)30-18-9-3-10-19-30)37-27-36(29-16-7-2-8-17-29)43-41(44-37)31-20-11-4-12-21-31/h1-34H;3-34H,1-2H3;1-27H
InChIKeyGVBQSVYJYXUSKB-UHFFFAOYSA-N
MW2079.54 g/mol
LogP38.92
Rot. Bonds16

About 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

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 (PubChem CID 158374986) has the molecular formula C152H99N11 and a molecular weight of 2079.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID158374986
Molecular FormulaC152H99N11
Molecular Weight2079.54 g/mol
Exact Mass2077.81
IUPAC Name3-[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
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)n4)cc3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C56H34N4.C55H38N4.C41H27N3/c1-3-16-35(17-4-1)42-28-15-29-48-52(42)47-31-30-39(34-51(47)57-53(48)36-18-5-2-6-19-36)54-58-55(49-32-37-20-7-9-22-40(37)43-24-11-13-26-45(43)49)60-56(59-54)50-33-38-21-8-10-23-41(38)44-25-12-14-27-46(44)50;1-55(2)47-24-13-12-21-43(47)44-31-29-40(33-48(44)55)35-25-27-39(28-26-35)53-57-52(38-19-10-5-11-20-38)58-54(59-53)41-30-32-45-49(34-41)56-51(37-17-8-4-9-18-37)46-23-14-22-42(50(45)46)36-15-6-3-7-16-36;1-5-14-28(15-6-1)33-22-13-23-35-39(33)34-25-24-32(26-38(34)42-40(35)30-18-9-3-10-19-30)37-27-36(29-16-7-2-8-17-29)43-41(44-37)31-20-11-4-12-21-31/h1-34H;3-34H,1-2H3;1-27H
InChIKeyGVBQSVYJYXUSKB-UHFFFAOYSA-N
XLogP38.92
TPSA141.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002079.54
LogP ≤ 538.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 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
4-[12-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]-2,6-diphenylpyrimidine
CID 138600013
10-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-3,6-diphenylphenanthridine
CID 146548788
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
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548653
3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-(3-phenylphenyl)phenanthridine
CID 146548907
10-[3-[4-[2,6-di(phenanthren-9-yl)pyrimidin-4-yl]phenyl]phenyl]-6-phenylphenanthridine
CID 146548146
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
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 157195683
3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146548561
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-phenyl-6-(4-phenylphenyl)phenanthridine
CID 146548262
6,10-diphenyl-3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenanthridine
CID 146548609

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)n4)cc3)cc21.c1ccc(-c2cc(-c3ccc4c(c3)nc(-c3ccccc3)c3cccc(-c5ccccc5)c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc3cc(-c4nc(-c5cc6ccccc6c6ccccc56)nc(-c5cc6ccccc6c6ccccc56)n4)ccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 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?
The InChIKey is GVBQSVYJYXUSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4.C55H38N4.C41H27N3/c1-3-16-35(17-4-1)42-28-15-29-48-52(42)47-31-30-39(34-51(47)57-53(48)36-18-5-2-6-19-36)54-58-55(49-32-37-20-7-9-22-40(37)43-24-11-13-26-45(43)49)60-56(59-54)50-33-38-21-8-10-23-41(38)44-25-12-14-27-46(44)50;1-55(2)47-24-13-12-21-43(47)44-31-29-40(33-48(44)55)35-25-27-39(28-26-35)53-57-52(38-19-10-5-11-20-38)58-54(59-53)41-30-32-45-49(34-41)56-51(37-17-8-4-9-18-37)46-23-14-22-42(50(45)46)36-15-6-3-7-16-36;1-5-14-28(15-6-1)33-22-13-23-35-39(33)34-25-24-32(26-38(34)42-40(35)30-18-9-3-10-19-30)37-27-36(29-16-7-2-8-17-29)43-41(44-37)31-20-11-4-12-21-31/h1-34H;3-34H,1-2H3;1-27H.
What are the key properties of 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?
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 has a molecular weight of 2079.54 g/mol, XLogP of 38.92, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158374986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).