4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane

C165H115N9 — CID 159016436

IUPAC4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane
SMILESCC.Cc1ccc(-c2cc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)c3)nc(-c3ccc(C)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc3c(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C59H39N3.C55H35N3.C49H35N3.C2H6/c1-6-19-40(20-7-1)47-36-48(41-21-8-2-9-22-41)38-49(37-47)55-39-54(60-59(61-55)44-27-14-5-15-28-44)46-30-16-29-45(35-46)51-32-18-34-53-56-50(42-23-10-3-11-24-42)31-17-33-52(56)57(62-58(51)53)43-25-12-4-13-26-43;1-3-16-38(17-4-1)46-24-12-26-48-52(46)49-27-13-25-47(54(49)58-53(48)39-18-5-2-6-19-39)42-22-11-23-43(34-42)50-35-51(44-30-28-36-14-7-9-20-40(36)32-44)57-55(56-50)45-31-29-37-15-8-10-21-41(37)33-45;1-32-22-26-35(27-23-32)44-31-45(51-49(50-44)37-28-24-33(2)25-29-37)39-17-9-16-38(30-39)41-19-11-21-43-46-40(34-12-5-3-6-13-34)18-10-20-42(46)47(52-48(41)43)36-14-7-4-8-15-36;1-2/h1-39H;1-35H;3-31H,1-2H3;1-2H3
InChIKeyJTDNPLFKEUTDMT-UHFFFAOYSA-N
MW2223.80 g/mol
LogP43.82
Rot. Bonds20

About 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane

4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane (PubChem CID 159016436) has the molecular formula C165H115N9 and a molecular weight of 2223.80 g/mol. Its IUPAC name is 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane.

Molecular Properties

Compound Name4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane
PubChem CID159016436
Molecular FormulaC165H115N9
Molecular Weight2223.80 g/mol
Exact Mass2221.93
IUPAC Name4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane
SMILESCC.Cc1ccc(-c2cc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)c3)nc(-c3ccc(C)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc3c(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cccc3c3c(-c4ccccc4)cccc23)cc1
InChIInChI=1S/C59H39N3.C55H35N3.C49H35N3.C2H6/c1-6-19-40(20-7-1)47-36-48(41-21-8-2-9-22-41)38-49(37-47)55-39-54(60-59(61-55)44-27-14-5-15-28-44)46-30-16-29-45(35-46)51-32-18-34-53-56-50(42-23-10-3-11-24-42)31-17-33-52(56)57(62-58(51)53)43-25-12-4-13-26-43;1-3-16-38(17-4-1)46-24-12-26-48-52(46)49-27-13-25-47(54(49)58-53(48)39-18-5-2-6-19-39)42-22-11-23-43(34-42)50-35-51(44-30-28-36-14-7-9-20-40(36)32-44)57-55(56-50)45-31-29-37-15-8-10-21-41(37)33-45;1-32-22-26-35(27-23-32)44-31-45(51-49(50-44)37-28-24-33(2)25-29-37)39-17-9-16-38(30-39)41-19-11-21-43-46-40(34-12-5-3-6-13-34)18-10-20-42(46)47(52-48(41)43)36-14-7-4-8-15-36;1-2/h1-39H;1-35H;3-31H,1-2H3;1-2H3
InChIKeyJTDNPLFKEUTDMT-UHFFFAOYSA-N
XLogP43.82
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms174
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002223.80
LogP ≤ 543.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane with MolForge

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Related Compounds

10-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6-phenylphenanthridine;10-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6-phenylphenanthridine
CID 161033409
6,10-diphenyl-4-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenanthridine
CID 146548667
4-[3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549222
4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine;6,10-diphenyl-4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenanthridine;4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,10-diphenylphenanthridine
CID 159557083
6-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-[3-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-naphthalen-1-ylphenyl)-4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[k]phenanthridine
CID 161486127
2-[4-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine
CID 146548632
10-phenyl-6-[4-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]phenyl]phenanthridine
CID 146548513
4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6,10-diphenylphenanthridine
CID 146548291
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549107
4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6,10-diphenylphenanthridine;4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-6,10-diphenylphenanthridine
CID 160572866
2-[4-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 146549212
2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;2-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;2-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine
CID 162005559

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane?
The IUPAC name of 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane (CID 159016436) is 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane.
What is the SMILES notation for 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane?
The canonical SMILES for 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane is CC.Cc1ccc(-c2cc(-c3cccc(-c4cccc5c4nc(-c4ccccc4)c4cccc(-c6ccccc6)c45)c3)nc(-c3ccc(C)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4cccc(-c5cccc6c5nc(-c5ccccc5)c5cccc(-c7ccccc7)c56)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2nc3c(-c4cccc(-c5cc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)c4)cccc3c3c(-c4ccccc4)cccc23)cc1.
What is the InChIKey of 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane?
The InChIKey is JTDNPLFKEUTDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3.C55H35N3.C49H35N3.C2H6/c1-6-19-40(20-7-1)47-36-48(41-21-8-2-9-22-41)38-49(37-47)55-39-54(60-59(61-55)44-27-14-5-15-28-44)46-30-16-29-45(35-46)51-32-18-34-53-56-50(42-23-10-3-11-24-42)31-17-33-52(56)57(62-58(51)53)43-25-12-4-13-26-43;1-3-16-38(17-4-1)46-24-12-26-48-52(46)49-27-13-25-47(54(49)58-53(48)39-18-5-2-6-19-39)42-22-11-23-43(34-42)50-35-51(44-30-28-36-14-7-9-20-40(36)32-44)57-55(56-50)45-31-29-37-15-8-10-21-41(37)33-45;1-32-22-26-35(27-23-32)44-31-45(51-49(50-44)37-28-24-33(2)25-29-37)39-17-9-16-38(30-39)41-19-11-21-43-46-40(34-12-5-3-6-13-34)18-10-20-42(46)47(52-48(41)43)36-14-7-4-8-15-36;1-2/h1-39H;1-35H;3-31H,1-2H3;1-2H3.
What are the key properties of 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane?
4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane has a molecular weight of 2223.80 g/mol, XLogP of 43.82, 20 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,6-bis(4-methylphenyl)pyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;4-[3-(2,6-dinaphthalen-2-ylpyrimidin-4-yl)phenyl]-6,10-diphenylphenanthridine;4-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-6,10-diphenylphenanthridine;ethane is sourced from PubChem (CID 159016436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).