2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene

C170H116F10 — CID 159473624

IUPAC2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene
SMILESC.Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc(C(C)(C)C)cc4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc(F)cc4)cc23)cc1.Cc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc(C(F)(F)F)c4)c3c2)cc1.Fc1cc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c3c2)cc(F)c1F
InChIInChI=1S/C45H36.C42H27F3.C41H22F6.C41H27F.CH4/c1-29-17-19-31(20-18-29)43-38-15-9-10-16-39(38)44(41-28-33-11-5-6-12-35(33)36-13-7-8-14-37(36)41)40-26-23-32(27-42(40)43)30-21-24-34(25-22-30)45(2,3)4;1-26-17-19-27(20-18-26)28-21-22-37-39(24-28)40(30-10-8-11-31(23-30)42(43,44)45)35-15-6-7-16-36(35)41(37)38-25-29-9-2-3-12-32(29)33-13-4-5-14-34(33)38;42-36-21-26(22-37(43)40(36)44)24-15-18-33-35(19-24)38(23-13-16-27(17-14-23)41(45,46)47)31-11-5-6-12-32(31)39(33)34-20-25-7-1-2-8-28(25)29-9-3-4-10-30(29)34;1-26-14-16-28(17-15-26)40-35-12-6-7-13-36(35)41(37-23-20-29(24-39(37)40)27-18-21-31(42)22-19-27)38-25-30-8-2-3-9-32(30)33-10-4-5-11-34(33)38;/h5-28H,1-4H3;2-25H,1H3;1-22H;2-25H,1H3;1H4
InChIKeyLWCJHWDOBXULNS-UHFFFAOYSA-N
MW2348.78 g/mol
LogP50.65
Rot. Bonds12

About 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene

2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene (PubChem CID 159473624) has the molecular formula C170H116F10 and a molecular weight of 2348.78 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene
PubChem CID159473624
Molecular FormulaC170H116F10
Molecular Weight2348.78 g/mol
Exact Mass2346.89
IUPAC Name2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene
SMILESC.Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc(C(C)(C)C)cc4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc(F)cc4)cc23)cc1.Cc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc(C(F)(F)F)c4)c3c2)cc1.Fc1cc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c3c2)cc(F)c1F
InChIInChI=1S/C45H36.C42H27F3.C41H22F6.C41H27F.CH4/c1-29-17-19-31(20-18-29)43-38-15-9-10-16-39(38)44(41-28-33-11-5-6-12-35(33)36-13-7-8-14-37(36)41)40-26-23-32(27-42(40)43)30-21-24-34(25-22-30)45(2,3)4;1-26-17-19-27(20-18-26)28-21-22-37-39(24-28)40(30-10-8-11-31(23-30)42(43,44)45)35-15-6-7-16-36(35)41(37)38-25-29-9-2-3-12-32(29)33-13-4-5-14-34(33)38;42-36-21-26(22-37(43)40(36)44)24-15-18-33-35(19-24)38(23-13-16-27(17-14-23)41(45,46)47)31-11-5-6-12-32(31)39(33)34-20-25-7-1-2-8-28(25)29-9-3-4-10-30(29)34;1-26-14-16-28(17-15-26)40-35-12-6-7-13-36(35)41(37-23-20-29(24-39(37)40)27-18-21-31(42)22-19-27)38-25-30-8-2-3-9-32(30)33-10-4-5-11-34(33)38;/h5-28H,1-4H3;2-25H,1H3;1-22H;2-25H,1H3;1H4
InChIKeyLWCJHWDOBXULNS-UHFFFAOYSA-N
XLogP50.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002348.78
LogP ≤ 550.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene 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

7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene
CID 170391397
2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracene;2-(4-methylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethoxy)phenyl]anthracene;9-(4-methylphenyl)-10-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene;10-naphthalen-2-yl-2-[4-(trifluoromethoxy)phenyl]-9-[3-(trifluoromethyl)phenyl]anthracene
CID 157153963
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
2,7-bis(trifluoromethyl)-9,10-bis[3-(trifluoromethyl)phenyl]phenanthrene;3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-methylphenyl)phenanthrene;9,10-diphenylphenanthrene;3,6,9,10-tetraphenylphenanthrene
CID 159629423
2-methyl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene
CID 59793052
9-(4-tert-butylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-dimethylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;9-(3,5-diphenylphenyl)-2,3,6,7-tetramethyl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-phenanthren-9-yl-10-(3-phenylnaphthalen-2-yl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;2,3,6,7-tetramethyl-9-(3-phenylnaphthalen-2-yl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 160742199
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794
10-phenanthren-9-yl-9-(3-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58322788

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene?
The IUPAC name of 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene (CID 159473624) is 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene.
What is the SMILES notation for 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene?
The canonical SMILES for 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene is C.Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc(C(C)(C)C)cc4)cc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4ccc(F)cc4)cc23)cc1.Cc1ccc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4cccc(C(F)(F)F)c4)c3c2)cc1.Fc1cc(-c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c3c2)cc(F)c1F.
What is the InChIKey of 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene?
The InChIKey is LWCJHWDOBXULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36.C42H27F3.C41H22F6.C41H27F.CH4/c1-29-17-19-31(20-18-29)43-38-15-9-10-16-39(38)44(41-28-33-11-5-6-12-35(33)36-13-7-8-14-37(36)41)40-26-23-32(27-42(40)43)30-21-24-34(25-22-30)45(2,3)4;1-26-17-19-27(20-18-26)28-21-22-37-39(24-28)40(30-10-8-11-31(23-30)42(43,44)45)35-15-6-7-16-36(35)41(37)38-25-29-9-2-3-12-32(29)33-13-4-5-14-34(33)38;42-36-21-26(22-37(43)40(36)44)24-15-18-33-35(19-24)38(23-13-16-27(17-14-23)41(45,46)47)31-11-5-6-12-32(31)39(33)34-20-25-7-1-2-8-28(25)29-9-3-4-10-30(29)34;1-26-14-16-28(17-15-26)40-35-12-6-7-13-36(35)41(37-23-20-29(24-39(37)40)27-18-21-31(42)22-19-27)38-25-30-8-2-3-9-32(30)33-10-4-5-11-34(33)38;/h5-28H,1-4H3;2-25H,1H3;1-22H;2-25H,1H3;1H4.
What are the key properties of 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene?
2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene has a molecular weight of 2348.78 g/mol, XLogP of 50.65, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;2-(4-fluorophenyl)-9-(4-methylphenyl)-10-phenanthren-9-ylanthracene;methane;2-(4-methylphenyl)-10-phenanthren-9-yl-9-[3-(trifluoromethyl)phenyl]anthracene;10-phenanthren-9-yl-9-[4-(trifluoromethyl)phenyl]-2-(3,4,5-trifluorophenyl)anthracene is sourced from PubChem (CID 159473624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).