3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene

C177H114N9OP — CID 157059157

IUPAC3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc21.O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc(N(c2ccc(-c3ccccn3)cc2)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1
InChIInChI=1S/C55H34N2.C42H26N4.C42H31N3.C38H23OP/c1-2-12-38(13-3-1)57(39-25-23-35(24-26-39)53-22-8-9-31-56-53)40-33-36(41-27-29-51-45-16-6-4-14-43(45)49-20-10-18-47(41)54(49)51)32-37(34-40)42-28-30-52-46-17-7-5-15-44(46)50-21-11-19-48(42)55(50)52;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-42(2)37-16-10-9-15-35(37)36-26-25-34(27-38(36)42)30-19-17-28(18-20-30)29-21-23-33(24-22-29)41-44-39(31-11-5-3-6-12-31)43-40(45-41)32-13-7-4-8-14-32;39-40(30-10-2-1-3-11-30,33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27/h1-34H;1-26H;3-27H,1-2H3;1-23H
InChIKeyABCRNCUOIRKPCQ-UHFFFAOYSA-N
MW2413.89 g/mol
LogP45.33
Rot. Bonds18

About 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene

3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene (PubChem CID 157059157) has the molecular formula C177H114N9OP and a molecular weight of 2413.89 g/mol. Its IUPAC name is 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene.

Molecular Properties

Compound Name3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
PubChem CID157059157
Molecular FormulaC177H114N9OP
Molecular Weight2413.89 g/mol
Exact Mass2411.89
IUPAC Name3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc21.O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc(N(c2ccc(-c3ccccn3)cc2)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1
InChIInChI=1S/C55H34N2.C42H26N4.C42H31N3.C38H23OP/c1-2-12-38(13-3-1)57(39-25-23-35(24-26-39)53-22-8-9-31-56-53)40-33-36(41-27-29-51-45-16-6-4-14-43(45)49-20-10-18-47(41)54(49)51)32-37(34-40)42-28-30-52-46-17-7-5-15-44(46)50-21-11-19-48(42)55(50)52;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-42(2)37-16-10-9-15-35(37)36-26-25-34(27-38(36)42)30-19-17-28(18-20-30)29-21-23-33(24-22-29)41-44-39(31-11-5-3-6-12-31)43-40(45-41)32-13-7-4-8-14-32;39-40(30-10-2-1-3-11-30,33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27/h1-34H;1-26H;3-27H,1-2H3;1-23H
InChIKeyABCRNCUOIRKPCQ-UHFFFAOYSA-N
XLogP45.33
TPSA123.43 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms188
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002413.89
LogP ≤ 545.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 134167628
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-1,10-phenanthroline;2-(3-naphthalen-2-ylphenyl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 158744831
4-[4-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;N-[4-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;N-[4-[4-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161284069
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263667
2-[3-[4-[6-(9,9-dimethylfluoren-4-yl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168280
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-pyren-1-ylphenyl)-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264881
bis(2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline);2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 157104263
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline;2-[7-(4-diphenylphosphorylphenyl)phenanthren-2-yl]-1,10-phenanthroline;2-[4-[6-(4-diphenylphosphorylphenyl)pyren-1-yl]phenyl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)naphthalen-1-yl]-1,10-phenanthroline;2-[4-(6-diphenylphosphorylpyren-1-yl)phenyl]-1,10-phenanthroline
CID 159478084
2-(7-diphenylphosphoryl-9,9-dimethylfluoren-2-yl)-1,10-phenanthroline
CID 134470948
9,9-dimethyl-N-[4-(6-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 177100656
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412224
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-pyren-1-yl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130264408

Frequently Asked Questions

What is the IUPAC name of 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
The IUPAC name of 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene (CID 157059157) is 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene.
What is the SMILES notation for 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
The canonical SMILES for 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc21.O=P(c1ccccc1)(c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc(N(c2ccc(-c3ccccn3)cc2)c2cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)cc(-c3ccc4c5c(cccc35)-c3ccccc3-4)c2)cc1.
What is the InChIKey of 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
The InChIKey is ABCRNCUOIRKPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2.C42H26N4.C42H31N3.C38H23OP/c1-2-12-38(13-3-1)57(39-25-23-35(24-26-39)53-22-8-9-31-56-53)40-33-36(41-27-29-51-45-16-6-4-14-43(45)49-20-10-18-47(41)54(49)51)32-37(34-40)42-28-30-52-46-17-7-5-15-44(46)50-21-11-19-48(42)55(50)52;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-42(2)37-16-10-9-15-35(37)36-26-25-34(27-38(36)42)30-19-17-28(18-20-30)29-21-23-33(24-22-29)41-44-39(31-11-5-3-6-12-31)43-40(45-41)32-13-7-4-8-14-32;39-40(30-10-2-1-3-11-30,33-22-18-28-14-12-24-6-4-8-26-16-20-31(33)37(28)35(24)26)34-23-19-29-15-13-25-7-5-9-27-17-21-32(34)38(29)36(25)27/h1-34H;1-26H;3-27H,1-2H3;1-23H.
What are the key properties of 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene?
3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene has a molecular weight of 2413.89 g/mol, XLogP of 45.33, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(fluoranthen-3-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline;2-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;1-[phenyl(pyren-1-yl)phosphoryl]pyrene is sourced from PubChem (CID 157059157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).