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

C154H110F12O4 — CID 159629423

IUPAC2,7-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
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3ccc(OC)cc3c3cc(OC)ccc23)cc1.Cc1ccc(-c2c(-c3ccc(C)cc3)c3ccc(C)cc3c3cc(C)ccc23)cc1.FC(F)(F)c1cccc(-c2c(-c3cccc(C(F)(F)F)c3)c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc23)c1.c1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C38H26.C30H14F12.C30H26O4.C30H26.C26H18/c1-5-13-27(14-6-1)31-21-23-33-35(25-31)36-26-32(28-15-7-2-8-16-28)22-24-34(36)38(30-19-11-4-12-20-30)37(33)29-17-9-3-10-18-29;31-27(32,33)17-5-1-3-15(11-17)25-23-13-19(29(37,38)39)7-9-21(23)22-10-8-20(30(40,41)42)14-24(22)26(25)16-4-2-6-18(12-16)28(34,35)36;1-31-21-9-5-19(6-10-21)29-25-15-13-23(33-3)17-27(25)28-18-24(34-4)14-16-26(28)30(29)20-7-11-22(32-2)12-8-20;1-19-5-11-23(12-6-19)29-25-15-9-21(3)17-27(25)28-18-22(4)10-16-26(28)30(29)24-13-7-20(2)8-14-24;1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20/h1-26H;1-14H;5-18H,1-4H3;5-18H,1-4H3;1-18H
InChIKeyMOXTZXUEBSXPSY-UHFFFAOYSA-N
MW2252.55 g/mol
LogP45.31
Rot. Bonds16

About 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

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 (PubChem CID 159629423) has the molecular formula C154H110F12O4 and a molecular weight of 2252.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,7-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
PubChem CID159629423
Molecular FormulaC154H110F12O4
Molecular Weight2252.55 g/mol
Exact Mass2250.82
IUPAC Name2,7-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
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3ccc(OC)cc3c3cc(OC)ccc23)cc1.Cc1ccc(-c2c(-c3ccc(C)cc3)c3ccc(C)cc3c3cc(C)ccc23)cc1.FC(F)(F)c1cccc(-c2c(-c3cccc(C(F)(F)F)c3)c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc23)c1.c1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C38H26.C30H14F12.C30H26O4.C30H26.C26H18/c1-5-13-27(14-6-1)31-21-23-33-35(25-31)36-26-32(28-15-7-2-8-16-28)22-24-34(36)38(30-19-11-4-12-20-30)37(33)29-17-9-3-10-18-29;31-27(32,33)17-5-1-3-15(11-17)25-23-13-19(29(37,38)39)7-9-21(23)22-10-8-20(30(40,41)42)14-24(22)26(25)16-4-2-6-18(12-16)28(34,35)36;1-31-21-9-5-19(6-10-21)29-25-15-13-23(33-3)17-27(25)28-18-24(34-4)14-16-26(28)30(29)20-7-11-22(32-2)12-8-20;1-19-5-11-23(12-6-19)29-25-15-9-21(3)17-27(25)28-18-22(4)10-16-26(28)30(29)24-13-7-20(2)8-14-24;1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20/h1-26H;1-14H;5-18H,1-4H3;5-18H,1-4H3;1-18H
InChIKeyMOXTZXUEBSXPSY-UHFFFAOYSA-N
XLogP45.31
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002252.55
LogP ≤ 545.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,8-dimethoxy-5,11-bis(4-methoxyphenyl)-6,12-diphenyltetracene;fluoromethane;2-methyl-5-(4-methylphenyl)-8-propan-2-yloxy-11-(4-propan-2-yloxyphenyl)-6,12-bis[3-(trifluoromethyl)phenyl]tetracene;molecular fluorine
CID 158192256
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
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-tert-butyl-6-(4-methoxyphenyl)-9,10-bis(4-phenylphenyl)anthracene
CID 59002256
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792
7-(4-methylphenyl)-1,10-di(phenanthren-9-yl)-3-[3-(trifluoromethyl)phenyl]anthracene
CID 170391397
6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene
CID 160705810
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
2-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2c(-c3ccc(OC)cc3)c3ccc(OC)cc3c3cc(OC)ccc23)cc1.Cc1ccc(-c2c(-c3ccc(C)cc3)c3ccc(C)cc3c3cc(C)ccc23)cc1.FC(F)(F)c1cccc(-c2c(-c3cccc(C(F)(F)F)c3)c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc23)c1.c1ccc(-c2c(-c3ccccc3)c3ccccc3c3ccccc23)cc1.c1ccc(-c2ccc3c(-c4ccccc4)c(-c4ccccc4)c4ccc(-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is MOXTZXUEBSXPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26.C30H14F12.C30H26O4.C30H26.C26H18/c1-5-13-27(14-6-1)31-21-23-33-35(25-31)36-26-32(28-15-7-2-8-16-28)22-24-34(36)38(30-19-11-4-12-20-30)37(33)29-17-9-3-10-18-29;31-27(32,33)17-5-1-3-15(11-17)25-23-13-19(29(37,38)39)7-9-21(23)22-10-8-20(30(40,41)42)14-24(22)26(25)16-4-2-6-18(12-16)28(34,35)36;1-31-21-9-5-19(6-10-21)29-25-15-13-23(33-3)17-27(25)28-18-24(34-4)14-16-26(28)30(29)20-7-11-22(32-2)12-8-20;1-19-5-11-23(12-6-19)29-25-15-9-21(3)17-27(25)28-18-22(4)10-16-26(28)30(29)24-13-7-20(2)8-14-24;1-3-11-19(12-4-1)25-23-17-9-7-15-21(23)22-16-8-10-18-24(22)26(25)20-13-5-2-6-14-20/h1-26H;1-14H;5-18H,1-4H3;5-18H,1-4H3;1-18H.
What are the key properties of 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?
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 has a molecular weight of 2252.55 g/mol, XLogP of 45.31, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159629423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).