9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene

C132H94F3NO — CID 157065047

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc34)cc21.COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C48H33N.C42H29F3.C42H32O/c1-48(2)41-21-11-8-16-33(41)34-26-25-32(29-42(34)48)45-35-17-6-7-18-36(35)46(37-27-24-31(28-40(37)45)30-14-4-3-5-15-30)47-38-19-9-12-22-43(38)49-44-23-13-10-20-39(44)47;1-41(2)37-15-9-8-12-31(37)32-22-19-29(25-38(32)41)40-34-14-7-6-13-33(34)39(27-16-20-30(21-17-27)42(43,44)45)35-23-18-28(24-36(35)40)26-10-4-3-5-11-26;1-42(2)38-16-10-9-13-32(38)33-23-20-30(26-39(33)42)41-35-15-8-7-14-34(35)40(28-17-21-31(43-3)22-18-28)36-24-19-29(25-37(36)41)27-11-5-4-6-12-27/h3-29H,1-2H3;3-25H,1-2H3;4-26H,1-3H3
InChIKeyABTWAYKAWATEBB-UHFFFAOYSA-N
MW1767.20 g/mol
LogP36.63
Rot. Bonds10

About 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene

9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 157065047) has the molecular formula C132H94F3NO and a molecular weight of 1767.20 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene
PubChem CID157065047
Molecular FormulaC132H94F3NO
Molecular Weight1767.20 g/mol
Exact Mass1765.73
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc34)cc21.COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C48H33N.C42H29F3.C42H32O/c1-48(2)41-21-11-8-16-33(41)34-26-25-32(29-42(34)48)45-35-17-6-7-18-36(35)46(37-27-24-31(28-40(37)45)30-14-4-3-5-15-30)47-38-19-9-12-22-43(38)49-44-23-13-10-20-39(44)47;1-41(2)37-15-9-8-12-31(37)32-22-19-29(25-38(32)41)40-34-14-7-6-13-33(34)39(27-16-20-30(21-17-27)42(43,44)45)35-23-18-28(24-36(35)40)26-10-4-3-5-11-26;1-42(2)38-16-10-9-13-32(38)33-23-20-30(26-39(33)42)41-35-15-8-7-14-34(35)40(28-17-21-31(43-3)22-18-28)36-24-19-29(25-37(36)41)27-11-5-4-6-12-27/h3-29H,1-2H3;3-25H,1-2H3;4-26H,1-3H3
InChIKeyABTWAYKAWATEBB-UHFFFAOYSA-N
XLogP36.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001767.20
LogP ≤ 536.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene (CID 157065047) is 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5ccccc5)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5ccccc5)cc34)cc21.COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccccc4)ccc23)cc1.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is ABTWAYKAWATEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N.C42H29F3.C42H32O/c1-48(2)41-21-11-8-16-33(41)34-26-25-32(29-42(34)48)45-35-17-6-7-18-36(35)46(37-27-24-31(28-40(37)45)30-14-4-3-5-15-30)47-38-19-9-12-22-43(38)49-44-23-13-10-20-39(44)47;1-41(2)37-15-9-8-12-31(37)32-22-19-29(25-38(32)41)40-34-14-7-6-13-33(34)39(27-16-20-30(21-17-27)42(43,44)45)35-23-18-28(24-36(35)40)26-10-4-3-5-11-26;1-42(2)38-16-10-9-13-32(38)33-23-20-30(26-39(33)42)41-35-15-8-7-14-34(35)40(28-17-21-31(43-3)22-18-28)36-24-19-29(25-37(36)41)27-11-5-4-6-12-27/h3-29H,1-2H3;3-25H,1-2H3;4-26H,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene?
9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 1767.20 g/mol, XLogP of 36.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-phenylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 157065047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).