2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine

C86H68F3N3 — CID 134191408

IUPAC2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cccc(F)c6)cn5)cc4)cc(-c4cc5c(cc4-c4ccc(-c6cc(C)c(-c7cccc(F)c7)cn6)cc4)C(C)(C)CCC5(C)C)c3)cc2)ncc1-c1cccc(F)c1
InChIInChI=1S/C86H68F3N3/c1-53-39-82(90-50-77(53)62-15-12-18-68(87)45-62)59-31-25-56(26-32-59)71-21-8-10-23-73(71)65-42-66(74-24-11-9-22-72(74)57-27-33-60(34-28-57)83-40-54(2)78(51-91-83)63-16-13-19-69(88)46-63)44-67(43-65)76-49-81-80(85(4,5)37-38-86(81,6)7)48-75(76)58-29-35-61(36-30-58)84-41-55(3)79(52-92-84)64-17-14-20-70(89)47-64/h8-36,39-52H,37-38H2,1-7H3
InChIKeyKWPOQGXBNIYFAK-UHFFFAOYSA-N
MW1200.50 g/mol
LogP23.57
Rot. Bonds12

About 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine

2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine (PubChem CID 134191408) has the molecular formula C86H68F3N3 and a molecular weight of 1200.50 g/mol. Its IUPAC name is 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine
PubChem CID134191408
Molecular FormulaC86H68F3N3
Molecular Weight1200.50 g/mol
Exact Mass1199.54
IUPAC Name2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cccc(F)c6)cn5)cc4)cc(-c4cc5c(cc4-c4ccc(-c6cc(C)c(-c7cccc(F)c7)cn6)cc4)C(C)(C)CCC5(C)C)c3)cc2)ncc1-c1cccc(F)c1
InChIInChI=1S/C86H68F3N3/c1-53-39-82(90-50-77(53)62-15-12-18-68(87)45-62)59-31-25-56(26-32-59)71-21-8-10-23-73(71)65-42-66(74-24-11-9-22-72(74)57-27-33-60(34-28-57)83-40-54(2)78(51-91-83)63-16-13-19-69(88)46-63)44-67(43-65)76-49-81-80(85(4,5)37-38-86(81,6)7)48-75(76)58-29-35-61(36-30-58)84-41-55(3)79(52-92-84)64-17-14-20-70(89)47-64/h8-36,39-52H,37-38H2,1-7H3
InChIKeyKWPOQGXBNIYFAK-UHFFFAOYSA-N
XLogP23.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001200.50
LogP ≤ 523.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine (CID 134191408) is 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6cccc(F)c6)cn5)cc4)cc(-c4cc5c(cc4-c4ccc(-c6cc(C)c(-c7cccc(F)c7)cn6)cc4)C(C)(C)CCC5(C)C)c3)cc2)ncc1-c1cccc(F)c1.
What is the InChIKey of 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine?
The InChIKey is KWPOQGXBNIYFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H68F3N3/c1-53-39-82(90-50-77(53)62-15-12-18-68(87)45-62)59-31-25-56(26-32-59)71-21-8-10-23-73(71)65-42-66(74-24-11-9-22-72(74)57-27-33-60(34-28-57)83-40-54(2)78(51-91-83)63-16-13-19-69(88)46-63)44-67(43-65)76-49-81-80(85(4,5)37-38-86(81,6)7)48-75(76)58-29-35-61(36-30-58)84-41-55(3)79(52-92-84)64-17-14-20-70(89)47-64/h8-36,39-52H,37-38H2,1-7H3.
What are the key properties of 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine?
2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine has a molecular weight of 1200.50 g/mol, XLogP of 23.57, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3,5-bis[2-[4-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]phenyl]-5-(3-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 134191408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).