4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine

C78H52N2 — CID 165150706

IUPAC4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccccc6-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccn8)c7)n6)ccc54)c3)c2)cc1
InChIInChI=1S/C78H52N2/c1-4-20-51(21-5-1)54-26-18-27-55(42-54)61-44-60(52-22-6-2-7-23-52)45-63(46-61)66-32-11-10-30-64(66)56-37-39-70-72(47-56)77-68-34-14-15-35-69(68)78(70)73-48-57(38-40-71(73)77)65-31-12-13-33-67(65)76-50-62(53-24-8-3-9-25-53)49-75(80-76)59-29-19-28-58(43-59)74-36-16-17-41-79-74/h1-50,77-78H
InChIKeyWMJPRZDXKWRCRY-UHFFFAOYSA-N
MW1017.29 g/mol
LogP20.13
Rot. Bonds10

About 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine

4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine (PubChem CID 165150706) has the molecular formula C78H52N2 and a molecular weight of 1017.29 g/mol. Its IUPAC name is 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine.

Molecular Properties

Compound Name4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
PubChem CID165150706
Molecular FormulaC78H52N2
Molecular Weight1017.29 g/mol
Exact Mass1016.41
IUPAC Name4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccccc6-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccn8)c7)n6)ccc54)c3)c2)cc1
InChIInChI=1S/C78H52N2/c1-4-20-51(21-5-1)54-26-18-27-55(42-54)61-44-60(52-22-6-2-7-23-52)45-63(46-61)66-32-11-10-30-64(66)56-37-39-70-72(47-56)77-68-34-14-15-35-69(68)78(70)73-48-57(38-40-71(73)77)65-31-12-13-33-67(65)76-50-62(53-24-8-3-9-25-53)49-75(80-76)59-29-19-28-58(43-59)74-36-16-17-41-79-74/h1-50,77-78H
InChIKeyWMJPRZDXKWRCRY-UHFFFAOYSA-N
XLogP20.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.29
LogP ≤ 520.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-[3-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 165150540
2,4-diphenyl-6-[11-[3-[2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150680
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
6-[2-[2-phenyl-6-[11-[2-phenyl-6-(2-quinoxalin-6-ylphenyl)pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]quinoxaline
CID 165151318
2-phenyl-4-(2-phenylphenyl)-6-[4-[11-[4-[2-phenyl-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]pyrimidine
CID 165151570
2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-pyridin-2-ylphenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434547
2-phenyl-4-[3-[11-[3-(4-phenyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-pyridin-2-yl-1,3,5-triazine
CID 165150820
2,4-bis[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]-6-phenylpyrimidine;2-phenyl-4,6-bis[2-[3-(3-phenylphenyl)phenyl]phenyl]pyridine;4-phenyl-2,6-bis[2-[4-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(3-phenylphenyl)phenyl]phenyl]pyrimidine;4-phenyl-2,6-bis[3-[3-(2-pyridin-2-ylphenyl)phenyl]phenyl]pyrimidine
CID 159959280
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2,4-diphenyl-6-[11-[4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazine
CID 165150606
2,4-diphenyl-6-[3-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]phenyl]pyrimidine
CID 163565213
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
The IUPAC name of 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine (CID 165150706) is 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine.
What is the SMILES notation for 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
The canonical SMILES for 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccccc6-c6cc(-c7ccccc7)cc(-c7cccc(-c8ccccn8)c7)n6)ccc54)c3)c2)cc1.
What is the InChIKey of 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
The InChIKey is WMJPRZDXKWRCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H52N2/c1-4-20-51(21-5-1)54-26-18-27-55(42-54)61-44-60(52-22-6-2-7-23-52)45-63(46-61)66-32-11-10-30-64(66)56-37-39-70-72(47-56)77-68-34-14-15-35-69(68)78(70)73-48-57(38-40-71(73)77)65-31-12-13-33-67(65)76-50-62(53-24-8-3-9-25-53)49-75(80-76)59-29-19-28-58(43-59)74-36-16-17-41-79-74/h1-50,77-78H.
What are the key properties of 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine?
4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine has a molecular weight of 1017.29 g/mol, XLogP of 20.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[2-[11-[2-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine is sourced from PubChem (CID 165150706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).