5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine

C126H82N8O2 — CID 139518320

IUPAC5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine
SMILESCc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ncccn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4cccc5oc6c(-c7ccc(-c8ccccc8-c8cc(-c9ccccc9-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)nc9)cc(-c9ccccc9-c9cnc(-c%10ccccc%10)nc9)c8)cn7)cccc6c45)ccn3)cc2C)c1
InChIInChI=1S/C126H82N8O2/c1-79-66-85(116-46-20-21-62-127-116)53-57-96(79)109-38-16-14-35-105(109)93-71-89(101-31-9-6-28-98(101)81-49-51-83(52-50-81)125-129-63-25-64-130-125)72-94(73-93)106-36-15-17-39-110(106)97-58-54-86(67-80(97)2)119-74-84(61-65-128-119)108-41-24-48-121-122(108)115-45-23-44-114(124(115)136-121)118-60-56-88(76-132-118)100-30-8-11-33-103(100)91-68-90(69-92(70-91)104-34-12-13-37-107(104)95-77-133-126(134-78-95)82-26-4-3-5-27-82)102-32-10-7-29-99(102)87-55-59-117(131-75-87)113-43-22-42-112-111-40-18-19-47-120(111)135-123(112)113/h3-78H,1-2H3
InChIKeyNOHJZRDZMCPPRT-UHFFFAOYSA-N
MW1740.10 g/mol
LogP32.94
Rot. Bonds19

About 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine

5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine (PubChem CID 139518320) has the molecular formula C126H82N8O2 and a molecular weight of 1740.10 g/mol. Its IUPAC name is 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine
PubChem CID139518320
Molecular FormulaC126H82N8O2
Molecular Weight1740.10 g/mol
Exact Mass1738.66
IUPAC Name5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine
SMILESCc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ncccn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4cccc5oc6c(-c7ccc(-c8ccccc8-c8cc(-c9ccccc9-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)nc9)cc(-c9ccccc9-c9cnc(-c%10ccccc%10)nc9)c8)cn7)cccc6c45)ccn3)cc2C)c1
InChIInChI=1S/C126H82N8O2/c1-79-66-85(116-46-20-21-62-127-116)53-57-96(79)109-38-16-14-35-105(109)93-71-89(101-31-9-6-28-98(101)81-49-51-83(52-50-81)125-129-63-25-64-130-125)72-94(73-93)106-36-15-17-39-110(106)97-58-54-86(67-80(97)2)119-74-84(61-65-128-119)108-41-24-48-121-122(108)115-45-23-44-114(124(115)136-121)118-60-56-88(76-132-118)100-30-8-11-33-103(100)91-68-90(69-92(70-91)104-34-12-13-37-107(104)95-77-133-126(134-78-95)82-26-4-3-5-27-82)102-32-10-7-29-99(102)87-55-59-117(131-75-87)113-43-22-42-112-111-40-18-19-47-120(111)135-123(112)113/h3-78H,1-2H3
InChIKeyNOHJZRDZMCPPRT-UHFFFAOYSA-N
XLogP32.94
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.10
LogP ≤ 532.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine?
The IUPAC name of 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine (CID 139518320) is 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine?
The canonical SMILES for 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine is Cc1cc(-c2ccccn2)ccc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ncccn3)cc2)cc(-c2ccccc2-c2ccc(-c3cc(-c4cccc5oc6c(-c7ccc(-c8ccccc8-c8cc(-c9ccccc9-c9ccc(-c%10cccc%11c%10oc%10ccccc%10%11)nc9)cc(-c9ccccc9-c9cnc(-c%10ccccc%10)nc9)c8)cn7)cccc6c45)ccn3)cc2C)c1.
What is the InChIKey of 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine?
The InChIKey is NOHJZRDZMCPPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C126H82N8O2/c1-79-66-85(116-46-20-21-62-127-116)53-57-96(79)109-38-16-14-35-105(109)93-71-89(101-31-9-6-28-98(101)81-49-51-83(52-50-81)125-129-63-25-64-130-125)72-94(73-93)106-36-15-17-39-110(106)97-58-54-86(67-80(97)2)119-74-84(61-65-128-119)108-41-24-48-121-122(108)115-45-23-44-114(124(115)136-121)118-60-56-88(76-132-118)100-30-8-11-33-103(100)91-68-90(69-92(70-91)104-34-12-13-37-107(104)95-77-133-126(134-78-95)82-26-4-3-5-27-82)102-32-10-7-29-99(102)87-55-59-117(131-75-87)113-43-22-42-112-111-40-18-19-47-120(111)135-123(112)113/h3-78H,1-2H3.
What are the key properties of 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine?
5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine has a molecular weight of 1740.10 g/mol, XLogP of 32.94, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(6-dibenzofuran-4-yl-3-pyridinyl)phenyl]-5-[2-[6-[9-[2-[3-methyl-4-[2-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)phenyl]-5-[2-(4-pyrimidin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]-4-pyridinyl]dibenzofuran-4-yl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 139518320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).