1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene

C40H40 — CID 123508067

IUPAC1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene
SMILESCC1C=C(CC=CC2=CCCC(C3=CC=CCC3)=C2)C=C(c2cc(-c3ccccc3)cc(C3C=CC=CC3)c2)C1
InChIInChI=1S/C40H40/c1-30-23-32(15-11-13-31-14-12-22-36(25-31)33-16-5-2-6-17-33)26-37(24-30)40-28-38(34-18-7-3-8-19-34)27-39(29-40)35-20-9-4-10-21-35/h2-5,7-11,13-14,16,18-20,23,25-30,35H,6,12,15,17,21-22,24H2,1H3
InChIKeyAZNGKGABBGENRQ-UHFFFAOYSA-N
MW520.76 g/mol
LogP11.17
Rot. Bonds7

About 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene

1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene (PubChem CID 123508067) has the molecular formula C40H40 and a molecular weight of 520.76 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene
PubChem CID123508067
Molecular FormulaC40H40
Molecular Weight520.76 g/mol
Exact Mass520.31
IUPAC Name1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene
SMILESCC1C=C(CC=CC2=CCCC(C3=CC=CCC3)=C2)C=C(c2cc(-c3ccccc3)cc(C3C=CC=CC3)c2)C1
InChIInChI=1S/C40H40/c1-30-23-32(15-11-13-31-14-12-22-36(25-31)33-16-5-2-6-17-33)26-37(24-30)40-28-38(34-18-7-3-8-19-34)27-39(29-40)35-20-9-4-10-21-35/h2-5,7-11,13-14,16,18-20,23,25-30,35H,6,12,15,17,21-22,24H2,1H3
InChIKeyAZNGKGABBGENRQ-UHFFFAOYSA-N
XLogP11.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.76
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-cyclohexa-1,3-dien-1-yl-2-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-2,4-bis(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-(3,5-diphenylphenyl)-1,3,5-triaza-2λ5,4λ5-diphosphacyclohexa-2,4,6-triene
CID 88887964
1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
5-methyl-1,3-diphenylcyclohexa-1,3-diene
CID 154531936
2-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-[4-[3-[3-[4-[3-[9-[4-[3-[3-(4-carbazol-9-ylphenyl)phenyl]-5-phenylphenyl]phenyl]carbazol-2-yl]carbazol-9-yl]phenyl]-5-cyclohexa-2,4-dien-1-ylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 149206255
N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-N-[4-(2-cyclohexa-2,4-dien-1-ylphenyl)-3-phenylcyclohexa-1,5-dien-1-yl]-3,4-diphenylaniline
CID 134194296
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-phenylanthracene
CID 123534233
12-[2-cyclohexa-2,4-dien-1-yl-4-[4-(3-cyclohexa-1,3-dien-1-yl-5-cyclohexa-2,4-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 153304403
4-cyclohexa-2,4-dien-1-yl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)anilino)phenyl]phenyl]aniline
CID 145474495
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
N-[4-[4-[4-(N-(3-benzylphenyl)-4-cyclohexa-2,4-dien-1-ylanilino)phenyl]phenyl]phenyl]-3-(cyclohexa-1,3-dien-1-ylmethyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
CID 166978744

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene (CID 123508067) is 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene is CC1C=C(CC=CC2=CCCC(C3=CC=CCC3)=C2)C=C(c2cc(-c3ccccc3)cc(C3C=CC=CC3)c2)C1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene?
The InChIKey is AZNGKGABBGENRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40/c1-30-23-32(15-11-13-31-14-12-22-36(25-31)33-16-5-2-6-17-33)26-37(24-30)40-28-38(34-18-7-3-8-19-34)27-39(29-40)35-20-9-4-10-21-35/h2-5,7-11,13-14,16,18-20,23,25-30,35H,6,12,15,17,21-22,24H2,1H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene?
1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene has a molecular weight of 520.76 g/mol, XLogP of 11.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-3-[3-[3-(5-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)prop-2-enyl]-5-methylcyclohexa-1,3-dien-1-yl]-5-phenylbenzene is sourced from PubChem (CID 123508067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).