9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene

C144H100F3NO — CID 157089477

IUPAC9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C52H35N.C46H31F3.C46H34O/c1-52(2)45-23-10-7-17-37(45)38-28-27-34(31-46(38)52)49-39-18-5-6-19-40(39)50(51-42-20-8-11-24-47(42)53-48-25-12-9-21-43(48)51)41-29-26-33(30-44(41)49)36-22-13-15-32-14-3-4-16-35(32)36;1-45(2)41-17-8-7-13-35(41)36-24-21-31(27-42(36)45)44-38-15-6-5-14-37(38)43(29-18-22-32(23-19-29)46(47,48)49)39-25-20-30(26-40(39)44)34-16-9-11-28-10-3-4-12-33(28)34;1-46(2)42-18-9-8-14-36(42)37-25-22-32(28-43(37)46)45-39-16-7-6-15-38(39)44(30-19-23-33(47-3)24-20-30)40-26-21-31(27-41(40)45)35-17-10-12-29-11-4-5-13-34(29)35/h3-31H,1-2H3;3-27H,1-2H3;4-28H,1-3H3
InChIKeyAEMMZKQEWOTBOG-UHFFFAOYSA-N
MW1917.38 g/mol
LogP40.09
Rot. Bonds10

About 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene

9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene (PubChem CID 157089477) has the molecular formula C144H100F3NO and a molecular weight of 1917.38 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene
PubChem CID157089477
Molecular FormulaC144H100F3NO
Molecular Weight1917.38 g/mol
Exact Mass1915.78
IUPAC Name9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C52H35N.C46H31F3.C46H34O/c1-52(2)45-23-10-7-17-37(45)38-28-27-34(31-46(38)52)49-39-18-5-6-19-40(39)50(51-42-20-8-11-24-47(42)53-48-25-12-9-21-43(48)51)41-29-26-33(30-44(41)49)36-22-13-15-32-14-3-4-16-35(32)36;1-45(2)41-17-8-7-13-35(41)36-24-21-31(27-42(36)45)44-38-15-6-5-14-37(38)43(29-18-22-32(23-19-29)46(47,48)49)39-25-20-30(26-40(39)44)34-16-9-11-28-10-3-4-12-33(28)34;1-46(2)42-18-9-8-14-36(42)37-25-22-32(28-43(37)46)45-39-16-7-6-15-38(39)44(30-19-23-33(47-3)24-20-30)40-26-21-31(27-41(40)45)35-17-10-12-29-11-4-5-13-34(29)35/h3-31H,1-2H3;3-27H,1-2H3;4-28H,1-3H3
InChIKeyAEMMZKQEWOTBOG-UHFFFAOYSA-N
XLogP40.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001917.38
LogP ≤ 540.09
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-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene (CID 157089477) is 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4c5ccccc5nc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c4ccc(-c5cccc6ccccc56)cc34)cc21.COc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene?
The InChIKey is AEMMZKQEWOTBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N.C46H31F3.C46H34O/c1-52(2)45-23-10-7-17-37(45)38-28-27-34(31-46(38)52)49-39-18-5-6-19-40(39)50(51-42-20-8-11-24-47(42)53-48-25-12-9-21-43(48)51)41-29-26-33(30-44(41)49)36-22-13-15-32-14-3-4-16-35(32)36;1-45(2)41-17-8-7-13-35(41)36-24-21-31(27-42(36)45)44-38-15-6-5-14-37(38)43(29-18-22-32(23-19-29)46(47,48)49)39-25-20-30(26-40(39)44)34-16-9-11-28-10-3-4-12-33(28)34;1-46(2)42-18-9-8-14-36(42)37-25-22-32(28-43(37)46)45-39-16-7-6-15-38(39)44(30-19-23-33(47-3)24-20-30)40-26-21-31(27-41(40)45)35-17-10-12-29-11-4-5-13-34(29)35/h3-31H,1-2H3;3-27H,1-2H3;4-28H,1-3H3.
What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene?
9-(9,9-dimethylfluoren-2-yl)-10-(4-methoxyphenyl)-2-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene has a molecular weight of 1917.38 g/mol, XLogP of 40.09, 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-naphthalen-1-ylanthracene;9-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]acridine;9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-10-[4-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 157089477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).