2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine

C107H63N7O4 — CID 130270437

IUPAC2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine
SMILESc1cncc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cncc(-c7ccc(-c8cc(-c9cccnc9)nc(-c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)n8)cc7)c6)cc5)cc4)nc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)n3)c2)c1
InChIInChI=1S/C107H63N7O4/c1-5-20-98-86(16-1)90-54-71(36-40-102(90)115-98)78-47-79(72-37-41-103-91(55-72)87-17-2-6-21-99(87)116-103)50-82(49-78)106-111-94(58-96(113-106)75-13-9-12-70(46-75)76-14-10-44-108-60-76)68-32-28-65(29-33-68)64-24-26-66(27-25-64)84-53-85(63-110-62-84)67-30-34-69(35-31-67)95-59-97(77-15-11-45-109-61-77)114-107(112-95)83-51-80(73-38-42-104-92(56-73)88-18-3-7-22-100(88)117-104)48-81(52-83)74-39-43-105-93(57-74)89-19-4-8-23-101(89)118-105/h1-63H
InChIKeyOEGYIIQNINJTGQ-UHFFFAOYSA-N
MW1510.73 g/mol
LogP28.39
Rot. Bonds14

About 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine

2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine (PubChem CID 130270437) has the molecular formula C107H63N7O4 and a molecular weight of 1510.73 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine
PubChem CID130270437
Molecular FormulaC107H63N7O4
Molecular Weight1510.73 g/mol
Exact Mass1509.49
IUPAC Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine
SMILESc1cncc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cncc(-c7ccc(-c8cc(-c9cccnc9)nc(-c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)n8)cc7)c6)cc5)cc4)nc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)n3)c2)c1
InChIInChI=1S/C107H63N7O4/c1-5-20-98-86(16-1)90-54-71(36-40-102(90)115-98)78-47-79(72-37-41-103-91(55-72)87-17-2-6-21-99(87)116-103)50-82(49-78)106-111-94(58-96(113-106)75-13-9-12-70(46-75)76-14-10-44-108-60-76)68-32-28-65(29-33-68)64-24-26-66(27-25-64)84-53-85(63-110-62-84)67-30-34-69(35-31-67)95-59-97(77-15-11-45-109-61-77)114-107(112-95)83-51-80(73-38-42-104-92(56-73)88-18-3-7-22-100(88)117-104)48-81(52-83)74-39-43-105-93(57-74)89-19-4-8-23-101(89)118-105/h1-63H
InChIKeyOEGYIIQNINJTGQ-UHFFFAOYSA-N
XLogP28.39
TPSA142.79 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001510.73
LogP ≤ 528.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine?
The IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine (CID 130270437) is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine is c1cncc(-c2cccc(-c3cc(-c4ccc(-c5ccc(-c6cncc(-c7ccc(-c8cc(-c9cccnc9)nc(-c9cc(-c%10ccc%11oc%12ccccc%12c%11c%10)cc(-c%10ccc%11oc%12ccccc%12c%11c%10)c9)n8)cc7)c6)cc5)cc4)nc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)n3)c2)c1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine?
The InChIKey is OEGYIIQNINJTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H63N7O4/c1-5-20-98-86(16-1)90-54-71(36-40-102(90)115-98)78-47-79(72-37-41-103-91(55-72)87-17-2-6-21-99(87)116-103)50-82(49-78)106-111-94(58-96(113-106)75-13-9-12-70(46-75)76-14-10-44-108-60-76)68-32-28-65(29-33-68)64-24-26-66(27-25-64)84-53-85(63-110-62-84)67-30-34-69(35-31-67)95-59-97(77-15-11-45-109-61-77)114-107(112-95)83-51-80(73-38-42-104-92(56-73)88-18-3-7-22-100(88)117-104)48-81(52-83)74-39-43-105-93(57-74)89-19-4-8-23-101(89)118-105/h1-63H.
What are the key properties of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine?
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine has a molecular weight of 1510.73 g/mol, XLogP of 28.39, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-[4-[5-[4-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-3-pyridinyl]phenyl]-6-pyridin-3-ylpyrimidine is sourced from PubChem (CID 130270437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).