2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine

C75H49N3O — CID 153458075

IUPAC2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5c(-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)c6)ccc6c5oc5ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C75H49N3O/c1-2-14-50(15-3-1)51-24-26-52(27-25-51)59-42-45-78-72(49-59)57-36-38-58(39-37-57)74-67(40-41-69-68-20-8-9-23-73(68)79-75(69)74)62-47-60(65-18-6-4-16-63(65)53-28-32-55(33-29-53)70-21-10-12-43-76-70)46-61(48-62)66-19-7-5-17-64(66)54-30-34-56(35-31-54)71-22-11-13-44-77-71/h1-49H
InChIKeyMTVFNVUZSAABHV-UHFFFAOYSA-N
MW1008.24 g/mol
LogP20.11
Rot. Bonds11

About 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine

2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine (PubChem CID 153458075) has the molecular formula C75H49N3O and a molecular weight of 1008.24 g/mol. Its IUPAC name is 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
PubChem CID153458075
Molecular FormulaC75H49N3O
Molecular Weight1008.24 g/mol
Exact Mass1007.39
IUPAC Name2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine
SMILESc1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5c(-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)c6)ccc6c5oc5ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C75H49N3O/c1-2-14-50(15-3-1)51-24-26-52(27-25-51)59-42-45-78-72(49-59)57-36-38-58(39-37-57)74-67(40-41-69-68-20-8-9-23-73(68)79-75(69)74)62-47-60(65-18-6-4-16-63(65)53-28-32-55(33-29-53)70-21-10-12-43-76-70)46-61(48-62)66-19-7-5-17-64(66)54-30-34-56(35-31-54)71-22-11-13-44-77-71/h1-49H
InChIKeyMTVFNVUZSAABHV-UHFFFAOYSA-N
XLogP20.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.24
LogP ≤ 520.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
3-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458209
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 153458604
2-[4-[2-[3,5-bis[2-(3-methylphenyl)phenyl]phenyl]phenyl]phenyl]-4-dibenzofuran-3-ylpyridine
CID 167363047
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]-7-phenyl-[1]benzofuro[2,3-c]pyridine
CID 176729025
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
2-dibenzofuran-4-yl-4-(4-methylphenyl)pyridine
CID 140775845
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155079198
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142353224

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine?
The IUPAC name of 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine (CID 153458075) is 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine is c1ccc(-c2ccc(-c3ccnc(-c4ccc(-c5c(-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)c6)ccc6c5oc5ccccc56)cc4)c3)cc2)cc1.
What is the InChIKey of 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine?
The InChIKey is MTVFNVUZSAABHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H49N3O/c1-2-14-50(15-3-1)51-24-26-52(27-25-51)59-42-45-78-72(49-59)57-36-38-58(39-37-57)74-67(40-41-69-68-20-8-9-23-73(68)79-75(69)74)62-47-60(65-18-6-4-16-63(65)53-28-32-55(33-29-53)70-21-10-12-43-76-70)46-61(48-62)66-19-7-5-17-64(66)54-30-34-56(35-31-54)71-22-11-13-44-77-71/h1-49H.
What are the key properties of 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine?
2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine has a molecular weight of 1008.24 g/mol, XLogP of 20.11, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]dibenzofuran-4-yl]phenyl]-4-(4-phenylphenyl)pyridine is sourced from PubChem (CID 153458075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).