1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole

C63H48N4 — CID 165149239

IUPAC1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cc(CCc4ccc(-c5ccccn5)cc4)cc(CCc4ccc(-n5ncc6ccccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C63H48N4/c1-2-12-49(13-3-1)50-30-32-51(33-31-50)60-43-53(62-18-9-11-39-65-62)34-37-59(60)58-16-6-5-15-57(58)55-41-47(22-20-45-24-28-52(29-25-45)61-17-8-10-38-64-61)40-48(42-55)23-21-46-26-35-56(36-27-46)67-63-19-7-4-14-54(63)44-66-67/h1-19,24-44H,20-23H2
InChIKeyWAFLVFCVWJSEAC-UHFFFAOYSA-N
MW861.11 g/mol
LogP15.39
Rot. Bonds13

About 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole

1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole (PubChem CID 165149239) has the molecular formula C63H48N4 and a molecular weight of 861.11 g/mol. Its IUPAC name is 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole.

Molecular Properties

Compound Name1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole
PubChem CID165149239
Molecular FormulaC63H48N4
Molecular Weight861.11 g/mol
Exact Mass860.39
IUPAC Name1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cc(CCc4ccc(-c5ccccn5)cc4)cc(CCc4ccc(-n5ncc6ccccc65)cc4)c3)cc2)cc1
InChIInChI=1S/C63H48N4/c1-2-12-49(13-3-1)50-30-32-51(33-31-50)60-43-53(62-18-9-11-39-65-62)34-37-59(60)58-16-6-5-15-57(58)55-41-47(22-20-45-24-28-52(29-25-45)61-17-8-10-38-64-61)40-48(42-55)23-21-46-26-35-56(36-27-46)67-63-19-7-4-14-54(63)44-66-67/h1-19,24-44H,20-23H2
InChIKeyWAFLVFCVWJSEAC-UHFFFAOYSA-N
XLogP15.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.11
LogP ≤ 515.39
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)ethyl]phenyl]phenyl]-3-[4-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 164776327
2-[4-[4-fluoro-2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]phenyl]pyridine
CID 165149243
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-3-phenanthren-2-ylphenyl]pyridine
CID 165148204
2-phenyl-6-[4-[2-[3-[6-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]cyclohexa-1,5-dien-1-yl]-5-[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]ethyl]phenyl]pyridine
CID 171448310
2-[4-[2-[3,5-bis[2-[4-(6-phenyl-2-pyridinyl)phenyl]ethyl]phenyl]phenyl]phenyl]-4-(4-phenylphenyl)pyridine
CID 165148975
2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-quinolin-2-ylphenol
CID 165149477
1-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]isoquinoline
CID 153458153
2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-5-phenylphenyl]-3-(4-phenylphenyl)phenyl]-4-phenylpyridine
CID 148872624
2-[4-[2-[3,5-bis[5-fluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 153458373
4-[4-[2-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]phenyl]-5-[4-(2,6-dimethylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]benzonitrile
CID 169297564
2-[5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]phenyl]-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 165149263
2-[4-[2-[3,5-bis[4,5-difluoro-2-(4-pyridin-2-ylphenyl)phenyl]phenyl]ethyl]-3-(4-phenylphenyl)phenyl]pyridine
CID 165149037

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole?
The IUPAC name of 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole (CID 165149239) is 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole.
What is the SMILES notation for 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole?
The canonical SMILES for 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole is c1ccc(-c2ccc(-c3cc(-c4ccccn4)ccc3-c3ccccc3-c3cc(CCc4ccc(-c5ccccn5)cc4)cc(CCc4ccc(-n5ncc6ccccc65)cc4)c3)cc2)cc1.
What is the InChIKey of 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole?
The InChIKey is WAFLVFCVWJSEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H48N4/c1-2-12-49(13-3-1)50-30-32-51(33-31-50)60-43-53(62-18-9-11-39-65-62)34-37-59(60)58-16-6-5-15-57(58)55-41-47(22-20-45-24-28-52(29-25-45)61-17-8-10-38-64-61)40-48(42-55)23-21-46-26-35-56(36-27-46)67-63-19-7-4-14-54(63)44-66-67/h1-19,24-44H,20-23H2.
What are the key properties of 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole?
1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole has a molecular weight of 861.11 g/mol, XLogP of 15.39, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)ethyl]phenyl]ethyl]phenyl]indazole is sourced from PubChem (CID 165149239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).