2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

C68H42N4O2 — CID 123431759

IUPAC2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)nc4c3oc3cc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8-c8ccccc8)c8oc9ccccc9c8n7)c6)c5)ccc34)cc2)cc1
InChIInChI=1S/C68H42N4O2/c1-4-18-43(19-5-1)44-34-36-47(37-35-44)61-65-64(72-68(69-61)56-31-13-11-29-54(56)46-22-8-3-9-23-46)58-39-38-51(42-60(58)74-65)49-25-16-24-48(40-49)50-26-17-27-52(41-50)67-70-62(66-63(71-67)57-32-14-15-33-59(57)73-66)55-30-12-10-28-53(55)45-20-6-2-7-21-45/h1-42H
InChIKeyIXIXAKWEDGOFKT-UHFFFAOYSA-N
MW947.11 g/mol
LogP18.07
Rot. Bonds9

About 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine

2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 123431759) has the molecular formula C68H42N4O2 and a molecular weight of 947.11 g/mol. Its IUPAC name is 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID123431759
Molecular FormulaC68H42N4O2
Molecular Weight947.11 g/mol
Exact Mass946.33
IUPAC Name2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)nc4c3oc3cc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8-c8ccccc8)c8oc9ccccc9c8n7)c6)c5)ccc34)cc2)cc1
InChIInChI=1S/C68H42N4O2/c1-4-18-43(19-5-1)44-34-36-47(37-35-44)61-65-64(72-68(69-61)56-31-13-11-29-54(56)46-22-8-3-9-23-46)58-39-38-51(42-60(58)74-65)49-25-16-24-48(40-49)50-26-17-27-52(41-50)67-70-62(66-63(71-67)57-32-14-15-33-59(57)73-66)55-30-12-10-28-53(55)45-20-6-2-7-21-45/h1-42H
InChIKeyIXIXAKWEDGOFKT-UHFFFAOYSA-N
XLogP18.07
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.11
LogP ≤ 518.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489845
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155050360
4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978316
4-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309273
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
2-[3-(3,5-diphenylphenyl)phenyl]-4-[3-[3-phenyl-5-[3-[4-[3-[4-[3-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 123166635
2-[8-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978721
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[3-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine;2-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 158921700
2-phenyl-4-[3-[3-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489509
2-[4-[6-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 166673424

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 123431759) is 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3nc(-c4ccccc4-c4ccccc4)nc4c3oc3cc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8-c8ccccc8)c8oc9ccccc9c8n7)c6)c5)ccc34)cc2)cc1.
What is the InChIKey of 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is IXIXAKWEDGOFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N4O2/c1-4-18-43(19-5-1)44-34-36-47(37-35-44)61-65-64(72-68(69-61)56-31-13-11-29-54(56)46-22-8-3-9-23-46)58-39-38-51(42-60(58)74-65)49-25-16-24-48(40-49)50-26-17-27-52(41-50)67-70-62(66-63(71-67)57-32-14-15-33-59(57)73-66)55-30-12-10-28-53(55)45-20-6-2-7-21-45/h1-42H.
What are the key properties of 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 947.11 g/mol, XLogP of 18.07, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenyl)-4-(4-phenylphenyl)-7-[3-[3-[4-(2-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 123431759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).