2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine

C59H47N — CID 167119132

IUPAC2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine
SMILESC1=CC(c2ccccc2)CC=C1C1=CC(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2)N1
InChIInChI=1S/C59H47N/c1-5-14-42(15-6-1)44-24-26-48(27-25-44)54-40-57(51-34-28-45(29-35-51)43-16-7-2-8-17-43)60-58(41-54)52-36-30-46(31-37-52)47-32-38-53(39-33-47)59-55(49-18-9-3-10-19-49)22-13-23-56(59)50-20-11-4-12-21-50/h1-28,30-40,45,54,58,60H,29,41H2
InChIKeyATEOMESVGCQSAD-UHFFFAOYSA-N
MW770.03 g/mol
LogP15.39
Rot. Bonds9

About 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine

2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine (PubChem CID 167119132) has the molecular formula C59H47N and a molecular weight of 770.03 g/mol. Its IUPAC name is 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine
PubChem CID167119132
Molecular FormulaC59H47N
Molecular Weight770.03 g/mol
Exact Mass769.37
IUPAC Name2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine
SMILESC1=CC(c2ccccc2)CC=C1C1=CC(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2)N1
InChIInChI=1S/C59H47N/c1-5-14-42(15-6-1)44-24-26-48(27-25-44)54-40-57(51-34-28-45(29-35-51)43-16-7-2-8-17-43)60-58(41-54)52-36-30-46(31-37-52)47-32-38-53(39-33-47)59-55(49-18-9-3-10-19-49)22-13-23-56(59)50-20-11-4-12-21-50/h1-28,30-40,45,54,58,60H,29,41H2
InChIKeyATEOMESVGCQSAD-UHFFFAOYSA-N
XLogP15.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.03
LogP ≤ 515.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine (CID 167119132) is 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine is C1=CC(c2ccccc2)CC=C1C1=CC(c2ccc(-c3ccccc3)cc2)CC(c2ccc(-c3ccc(-c4c(-c5ccccc5)cccc4-c4ccccc4)cc3)cc2)N1.
What is the InChIKey of 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is ATEOMESVGCQSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H47N/c1-5-14-42(15-6-1)44-24-26-48(27-25-44)54-40-57(51-34-28-45(29-35-51)43-16-7-2-8-17-43)60-58(41-54)52-36-30-46(31-37-52)47-32-38-53(39-33-47)59-55(49-18-9-3-10-19-49)22-13-23-56(59)50-20-11-4-12-21-50/h1-28,30-40,45,54,58,60H,29,41H2.
What are the key properties of 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine?
2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 770.03 g/mol, XLogP of 15.39, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2,6-diphenylphenyl)phenyl]phenyl]-6-(4-phenylcyclohexa-1,5-dien-1-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 167119132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).