2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline

C60H52N2 — CID 70909436

IUPAC2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(C5CCCCC5)cc4)nc4c3ccc3c(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(C6CCCCC6)cc5)nc34)cc2)cc1
InChIInChI=1S/C60H52N2/c1-5-13-41(14-6-1)45-21-29-49(30-22-45)55-39-57(51-33-25-47(26-34-51)43-17-9-3-10-18-43)61-59-53(55)37-38-54-56(50-31-23-46(24-32-50)42-15-7-2-8-16-42)40-58(62-60(54)59)52-35-27-48(28-36-52)44-19-11-4-12-20-44/h1-2,5-8,13-16,21-40,43-44H,3-4,9-12,17-20H2
InChIKeyWGKWBTWPDRFMMU-UHFFFAOYSA-N
MW801.09 g/mol
LogP16.88
Rot. Bonds8

About 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline

2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline (PubChem CID 70909436) has the molecular formula C60H52N2 and a molecular weight of 801.09 g/mol. Its IUPAC name is 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
PubChem CID70909436
Molecular FormulaC60H52N2
Molecular Weight801.09 g/mol
Exact Mass800.41
IUPAC Name2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(C5CCCCC5)cc4)nc4c3ccc3c(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(C6CCCCC6)cc5)nc34)cc2)cc1
InChIInChI=1S/C60H52N2/c1-5-13-41(14-6-1)45-21-29-49(30-22-45)55-39-57(51-33-25-47(26-34-51)43-17-9-3-10-18-43)61-59-53(55)37-38-54-56(50-31-23-46(24-32-50)42-15-7-2-8-16-42)40-58(62-60(54)59)52-35-27-48(28-36-52)44-19-11-4-12-20-44/h1-2,5-8,13-16,21-40,43-44H,3-4,9-12,17-20H2
InChIKeyWGKWBTWPDRFMMU-UHFFFAOYSA-N
XLogP16.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.09
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,9-bis(2-cyclohexylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 22972033
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
4-cyclohexyl-2,6-diphenylpyridine
CID 13415243
2,9-dicyclohexyl-4-[4-(3,4-diphenylphenyl)phenyl]-1,10-phenanthroline
CID 171419047
2,9-dicyclohexyl-4-(3,5-diphenylphenyl)-1,10-phenanthroline
CID 171419070
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
4,7-bis(4-tert-butylphenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthroline
CID 70909450
4,7-bis(4-phenylphenyl)-2,9-bis(4-phenylsulfanylphenyl)-1,10-phenanthroline
CID 70909553
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
2-cyclohexyl-4-[4-(3,4-diphenylphenyl)phenyl]-9-methyl-1,10-phenanthroline
CID 171419143
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
4-[7-(4-cyanophenyl)-2,9-bis(4-phenylphenyl)-1,10-phenanthrolin-4-yl]benzonitrile
CID 70909439

Frequently Asked Questions

What is the IUPAC name of 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline?
The IUPAC name of 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline (CID 70909436) is 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline is c1ccc(-c2ccc(-c3cc(-c4ccc(C5CCCCC5)cc4)nc4c3ccc3c(-c5ccc(-c6ccccc6)cc5)cc(-c5ccc(C6CCCCC6)cc5)nc34)cc2)cc1.
What is the InChIKey of 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline?
The InChIKey is WGKWBTWPDRFMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H52N2/c1-5-13-41(14-6-1)45-21-29-49(30-22-45)55-39-57(51-33-25-47(26-34-51)43-17-9-3-10-18-43)61-59-53(55)37-38-54-56(50-31-23-46(24-32-50)42-15-7-2-8-16-42)40-58(62-60(54)59)52-35-27-48(28-36-52)44-19-11-4-12-20-44/h1-2,5-8,13-16,21-40,43-44H,3-4,9-12,17-20H2.
What are the key properties of 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline?
2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline has a molecular weight of 801.09 g/mol, XLogP of 16.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis(4-cyclohexylphenyl)-4,7-bis(4-phenylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 70909436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).