5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

C130H88F4N6 — CID 146379883

IUPAC5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)c6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C130H88F4N6/c1-81-65-126(135-77-122(81)90-49-57-106(131)58-50-90)94-39-29-85(30-40-94)110-17-5-10-22-115(110)99-69-100(116-23-11-6-18-111(116)86-31-41-95(42-32-86)127-66-82(2)123(78-136-127)91-51-59-107(132)60-52-91)71-101(70-99)119-26-14-9-21-114(119)89-37-47-98(48-38-89)130-139-75-105(76-140-130)121-28-16-15-27-120(121)104-73-102(117-24-12-7-19-112(117)87-33-43-96(44-34-87)128-67-83(3)124(79-137-128)92-53-61-108(133)62-54-92)72-103(74-104)118-25-13-8-20-113(118)88-35-45-97(46-36-88)129-68-84(4)125(80-138-129)93-55-63-109(134)64-56-93/h5-80H,1-4H3
InChIKeyXDTGGTCPPCHZPP-UHFFFAOYSA-N
MW1810.17 g/mol
LogP34.85
Rot. Bonds21

About 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine

5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (PubChem CID 146379883) has the molecular formula C130H88F4N6 and a molecular weight of 1810.17 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
PubChem CID146379883
Molecular FormulaC130H88F4N6
Molecular Weight1810.17 g/mol
Exact Mass1808.70
IUPAC Name5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESCc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)c6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C130H88F4N6/c1-81-65-126(135-77-122(81)90-49-57-106(131)58-50-90)94-39-29-85(30-40-94)110-17-5-10-22-115(110)99-69-100(116-23-11-6-18-111(116)86-31-41-95(42-32-86)127-66-82(2)123(78-136-127)91-51-59-107(132)60-52-91)71-101(70-99)119-26-14-9-21-114(119)89-37-47-98(48-38-89)130-139-75-105(76-140-130)121-28-16-15-27-120(121)104-73-102(117-24-12-7-19-112(117)87-33-43-96(44-34-87)128-67-83(3)124(79-137-128)92-53-61-108(133)62-54-92)72-103(74-104)118-25-13-8-20-113(118)88-35-45-97(46-36-88)129-68-84(4)125(80-138-129)93-55-63-109(134)64-56-93/h5-80H,1-4H3
InChIKeyXDTGGTCPPCHZPP-UHFFFAOYSA-N
XLogP34.85
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001810.17
LogP ≤ 534.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine (CID 146379883) is 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is Cc1cc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)cc(-c4ccccc4-c4ccc(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)cc(-c7ccccc7-c7ccc(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)c6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is XDTGGTCPPCHZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H88F4N6/c1-81-65-126(135-77-122(81)90-49-57-106(131)58-50-90)94-39-29-85(30-40-94)110-17-5-10-22-115(110)99-69-100(116-23-11-6-18-111(116)86-31-41-95(42-32-86)127-66-82(2)123(78-136-127)91-51-59-107(132)60-52-91)71-101(70-99)119-26-14-9-21-114(119)89-37-47-98(48-38-89)130-139-75-105(76-140-130)121-28-16-15-27-120(121)104-73-102(117-24-12-7-19-112(117)87-33-43-96(44-34-87)128-67-83(3)124(79-137-128)92-53-61-108(133)62-54-92)72-103(74-104)118-25-13-8-20-113(118)88-35-45-97(46-36-88)129-68-84(4)125(80-138-129)93-55-63-109(134)64-56-93/h5-80H,1-4H3.
What are the key properties of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine?
5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 1810.17 g/mol, XLogP of 34.85, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 146379883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).