8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline

C44H36N2 — CID 121315542

IUPAC8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)c2)cc1
InChIInChI=1S/C44H36N2/c1-4-12-32(13-5-1)37-30-41(34-14-6-2-7-15-34)46-42(31-37)35-21-25-39(26-22-35)44(27-8-3-9-28-44)38-23-19-33(20-24-38)40-18-10-16-36-17-11-29-45-43(36)40/h1-2,4-7,10-26,29-31H,3,8-9,27-28H2
InChIKeyCZXSMXZSDLLRMV-UHFFFAOYSA-N
MW592.79 g/mol
LogP11.55
Rot. Bonds6

About 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline

8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline (PubChem CID 121315542) has the molecular formula C44H36N2 and a molecular weight of 592.79 g/mol. Its IUPAC name is 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline
PubChem CID121315542
Molecular FormulaC44H36N2
Molecular Weight592.79 g/mol
Exact Mass592.29
IUPAC Name8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)c2)cc1
InChIInChI=1S/C44H36N2/c1-4-12-32(13-5-1)37-30-41(34-14-6-2-7-15-34)46-42(31-37)35-21-25-39(26-22-35)44(27-8-3-9-28-44)38-23-19-33(20-24-38)40-18-10-16-36-17-11-29-45-43(36)40/h1-2,4-7,10-26,29-31H,3,8-9,27-28H2
InChIKeyCZXSMXZSDLLRMV-UHFFFAOYSA-N
XLogP11.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.79
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[4-[1-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]quinoline
CID 121315569
8-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]quinoline
CID 130392474
8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
4-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315578
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
4,6-diphenyl-2-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]pyrimidine
CID 121315538
8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155603380
2-naphthalen-1-yl-4-phenyl-6-[4-[1-(4-pyridin-2-ylphenyl)cyclohexyl]phenyl]-1,3,5-triazine
CID 121315437
mercury;8-phenylquinoline;hydrate
CID 174770535
4-[4-[1-(4-naphthalen-2-ylphenyl)cyclohexyl]phenyl]-2,6-diphenylpyrimidine
CID 121315574
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-[4-[1-[4-(3-naphthalen-1-ylphenyl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 121315412

Frequently Asked Questions

What is the IUPAC name of 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline?
The IUPAC name of 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline (CID 121315542) is 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline?
The canonical SMILES for 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(C4(c5ccc(-c6cccc7cccnc67)cc5)CCCCC4)cc3)c2)cc1.
What is the InChIKey of 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline?
The InChIKey is CZXSMXZSDLLRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36N2/c1-4-12-32(13-5-1)37-30-41(34-14-6-2-7-15-34)46-42(31-37)35-21-25-39(26-22-35)44(27-8-3-9-28-44)38-23-19-33(20-24-38)40-18-10-16-36-17-11-29-45-43(36)40/h1-2,4-7,10-26,29-31H,3,8-9,27-28H2.
What are the key properties of 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline?
8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline has a molecular weight of 592.79 g/mol, XLogP of 11.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[1-[4-(4,6-diphenyl-2-pyridinyl)phenyl]cyclohexyl]phenyl]quinoline is sourced from PubChem (CID 121315542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).