(5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine

C60H60N2 — CID 167119130

IUPAC(5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine
SMILESC1=CCCC(c2ccc(/C3=C/CCC(C4=CCC(c5ccc(C6=CNC(c7ccccc7)CC6C6=CC=CCC6)cc5)C=C4)NC(c4ccc(C5=CCCC=C5)cc4)C3)cc2)=C1
InChIInChI=1S/C60H60N2/c1-5-14-43(15-6-1)45-24-26-49(27-25-45)55-22-13-23-58(62-60(40-55)54-38-32-46(33-39-54)44-16-7-2-8-17-44)53-36-30-48(31-37-53)47-28-34-51(35-29-47)57-42-61-59(52-20-11-4-12-21-52)41-56(57)50-18-9-3-10-19-50/h1,3-5,7,9,11-12,14,16-18,20-22,24-30,32-39,42,48,56,58-62H,2,6,8,10,13,15,19,23,31,40-41H2/b55-22+
InChIKeyCOSPEQAPZVXQRJ-USLPZBLUSA-N
MW809.15 g/mol
LogP15.06
Rot. Bonds9

About (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine

(5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine (PubChem CID 167119130) has the molecular formula C60H60N2 and a molecular weight of 809.15 g/mol. Its IUPAC name is (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine.

Molecular Properties

Compound Name(5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine
PubChem CID167119130
Molecular FormulaC60H60N2
Molecular Weight809.15 g/mol
Exact Mass808.48
IUPAC Name(5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine
SMILESC1=CCCC(c2ccc(/C3=C/CCC(C4=CCC(c5ccc(C6=CNC(c7ccccc7)CC6C6=CC=CCC6)cc5)C=C4)NC(c4ccc(C5=CCCC=C5)cc4)C3)cc2)=C1
InChIInChI=1S/C60H60N2/c1-5-14-43(15-6-1)45-24-26-49(27-25-45)55-22-13-23-58(62-60(40-55)54-38-32-46(33-39-54)44-16-7-2-8-17-44)53-36-30-48(31-37-53)47-28-34-51(35-29-47)57-42-61-59(52-20-11-4-12-21-52)41-56(57)50-18-9-3-10-19-50/h1,3-5,7,9,11-12,14,16-18,20-22,24-30,32-39,42,48,56,58-62H,2,6,8,10,13,15,19,23,31,40-41H2/b55-22+
InChIKeyCOSPEQAPZVXQRJ-USLPZBLUSA-N
XLogP15.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.15
LogP ≤ 515.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine with MolForge

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Related Compounds

(4S)-6-cyclohexa-1,3-dien-1-yl-2-[5-(4,5-diphenylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-(4-phenylcyclohexa-2,4-dien-1-yl)-4,5-dihydropyrimidine
CID 167119193
cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
6-N-cyclohexa-1,3-dien-1-yl-2-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-9,10-dinaphthalen-1-yl-2-N-phenyl-6-N-(4-phenylcyclohexa-1,5-dien-1-yl)anthracene-2,6-diamine
CID 89152667
3-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,5-triazinan-1-ium-2-yl]-4-(5-naphthalen-1-yl-10,11-dihydroindolo[3,2-c]carbazol-12-yl)cyclohexa-2,4-dien-1-amine
CID 163786140
4-(4-phenylcyclohexa-1,5-dien-1-yl)aniline
CID 143057958
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-2-phenyl-6-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]cyclohexa-2,4-dien-1-yl]pyrimidine
CID 166903112
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
2-phenylcycloocta-1,3,5-triene
CID 123254366
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[3-cyclohexa-1,3-dien-1-yl-4-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134194351
5-cyclohexa-1,5-dien-1-yl-12-[4-cyclohexa-1,3-dien-1-yl-2-[4-[3-[3-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]cyclohexa-2,4-dien-1-yl]phenyl]phenyl]-4-methyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170271450
5-methyl-2-phenylcyclohepta-1,3-diene
CID 143994099

Frequently Asked Questions

What is the IUPAC name of (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine?
The IUPAC name of (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine (CID 167119130) is (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine.
What is the SMILES notation for (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine?
The canonical SMILES for (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine is C1=CCCC(c2ccc(/C3=C/CCC(C4=CCC(c5ccc(C6=CNC(c7ccccc7)CC6C6=CC=CCC6)cc5)C=C4)NC(c4ccc(C5=CCCC=C5)cc4)C3)cc2)=C1.
What is the InChIKey of (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine?
The InChIKey is COSPEQAPZVXQRJ-USLPZBLUSA-N. The full InChI is InChI=1S/C60H60N2/c1-5-14-43(15-6-1)45-24-26-49(27-25-45)55-22-13-23-58(62-60(40-55)54-38-32-46(33-39-54)44-16-7-2-8-17-44)53-36-30-48(31-37-53)47-28-34-51(35-29-47)57-42-61-59(52-20-11-4-12-21-52)41-56(57)50-18-9-3-10-19-50/h1,3-5,7,9,11-12,14,16-18,20-22,24-30,32-39,42,48,56,58-62H,2,6,8,10,13,15,19,23,31,40-41H2/b55-22+.
What are the key properties of (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine?
(5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine has a molecular weight of 809.15 g/mol, XLogP of 15.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-6-(4-cyclohexa-1,3-dien-1-ylphenyl)-8-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-[4-[4-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2,3,4-tetrahydropyridin-5-yl)phenyl]cyclohexa-1,5-dien-1-yl]-1,2,3,4,7,8-hexahydroazocine is sourced from PubChem (CID 167119130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).