4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine

C124H80N6 — CID 138744139

IUPAC4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4cccc5ccccc45)nc3)cc(-c3ccccc3-c3ccc(-c4cccc5ccccc45)nc3)c2)c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7cccc8ccccc78)nc6)cc(-c6ccccc6-c6ccc(-c7cccc8ccccc78)nc6)c5)cc4)ncn3)cc2)c1
InChIInChI=1S/C124H80N6/c1-5-35-101-81(25-1)29-21-49-115(101)119-65-61-89(76-125-119)105-39-11-17-45-111(105)95-69-93(70-96(73-95)112-46-18-12-40-106(112)90-62-66-120(126-77-90)116-50-22-30-82-26-2-6-36-102(82)116)109-43-15-9-33-99(109)85-53-57-87(58-54-85)123-75-124(130-80-129-123)88-59-55-86(56-60-88)100-34-10-16-44-110(100)94-71-97(113-47-19-13-41-107(113)91-63-67-121(127-78-91)117-51-23-31-83-27-3-7-37-103(83)117)74-98(72-94)114-48-20-14-42-108(114)92-64-68-122(128-79-92)118-52-24-32-84-28-4-8-38-104(84)118/h1-80H
InChIKeyCAILIMFMJAMAAK-UHFFFAOYSA-N
MW1654.05 g/mol
LogP32.68
Rot. Bonds18

About 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine

4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine (PubChem CID 138744139) has the molecular formula C124H80N6 and a molecular weight of 1654.05 g/mol. Its IUPAC name is 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine.

Molecular Properties

Compound Name4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
PubChem CID138744139
Molecular FormulaC124H80N6
Molecular Weight1654.05 g/mol
Exact Mass1652.64
IUPAC Name4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc(-c4cccc5ccccc45)nc3)cc(-c3ccccc3-c3ccc(-c4cccc5ccccc45)nc3)c2)c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7cccc8ccccc78)nc6)cc(-c6ccccc6-c6ccc(-c7cccc8ccccc78)nc6)c5)cc4)ncn3)cc2)c1
InChIInChI=1S/C124H80N6/c1-5-35-101-81(25-1)29-21-49-115(101)119-65-61-89(76-125-119)105-39-11-17-45-111(105)95-69-93(70-96(73-95)112-46-18-12-40-106(112)90-62-66-120(126-77-90)116-50-22-30-82-26-2-6-36-102(82)116)109-43-15-9-33-99(109)85-53-57-87(58-54-85)123-75-124(130-80-129-123)88-59-55-86(56-60-88)100-34-10-16-44-110(100)94-71-97(113-47-19-13-41-107(113)91-63-67-121(127-78-91)117-51-23-31-83-27-3-7-37-103(83)117)74-98(72-94)114-48-20-14-42-108(114)92-64-68-122(128-79-92)118-52-24-32-84-28-4-8-38-104(84)118/h1-80H
InChIKeyCAILIMFMJAMAAK-UHFFFAOYSA-N
XLogP32.68
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms130
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001654.05
LogP ≤ 532.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(6-naphthalen-1-ylpyrimidin-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 169296937
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
4,6-bis[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 134313268
2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
[4-[7-(6-naphthalen-1-yl-3-pyridinyl)naphthalen-2-yl]phenyl]phosphane
CID 170290591
5-methyl-2-naphthalen-1-ylpyridine
CID 59742245
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
3-[5-[2-[3-[2-[4-[6-[4-[2-[3,5-bis[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]phenyl]pyrimidin-4-yl]phenyl]phenyl]-5-[2-[6-(1,1,2,2,3,3-hexamethylinden-5-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-pyridinyl]-5,5,6,6,7,7-hexamethylcyclopenta[c]pyridine
CID 171044013
4-[3,5-bis(4-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine;2-(3,5-dinaphthalen-1-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)pyrimidine;2,6-diphenyl-4-[3-phenyl-5-(5-phenyl-2-pyridinyl)phenyl]pyridine
CID 159726197
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347

Frequently Asked Questions

What is the IUPAC name of 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The IUPAC name of 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine (CID 138744139) is 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine.
What is the SMILES notation for 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The canonical SMILES for 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccc(-c4cccc5ccccc45)nc3)cc(-c3ccccc3-c3ccc(-c4cccc5ccccc45)nc3)c2)c(-c2ccc(-c3cc(-c4ccc(-c5ccccc5-c5cc(-c6ccccc6-c6ccc(-c7cccc8ccccc78)nc6)cc(-c6ccccc6-c6ccc(-c7cccc8ccccc78)nc6)c5)cc4)ncn3)cc2)c1.
What is the InChIKey of 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
The InChIKey is CAILIMFMJAMAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C124H80N6/c1-5-35-101-81(25-1)29-21-49-115(101)119-65-61-89(76-125-119)105-39-11-17-45-111(105)95-69-93(70-96(73-95)112-46-18-12-40-106(112)90-62-66-120(126-77-90)116-50-22-30-82-26-2-6-36-102(82)116)109-43-15-9-33-99(109)85-53-57-87(58-54-85)123-75-124(130-80-129-123)88-59-55-86(56-60-88)100-34-10-16-44-110(100)94-71-97(113-47-19-13-41-107(113)91-63-67-121(127-78-91)117-51-23-31-83-27-3-7-37-103(83)117)74-98(72-94)114-48-20-14-42-108(114)92-64-68-122(128-79-92)118-52-24-32-84-28-4-8-38-104(84)118/h1-80H.
What are the key properties of 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine?
4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine has a molecular weight of 1654.05 g/mol, XLogP of 32.68, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[4-[2-[3,5-bis[2-(6-naphthalen-1-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrimidine is sourced from PubChem (CID 138744139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).