11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene

C52H36O2 — CID 160823396

About 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene

11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene (PubChem CID 160823396) has the molecular formula C52H36O2 and a molecular weight of 692.86 g/mol. Its IUPAC name is 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene.

Molecular Properties

• Compound Name: 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
• PubChem CID: 160823396
• Molecular Formula: C52H36O2
• Molecular Weight: 692.86 g/mol
• Exact Mass: 692.27
• IUPAC Name: 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
• SMILES: C=C(/C=c1/ccc(-c2ccccc2)cc1=C)C1=c2cccc/c2=C(c2cc3c(ccc4c5ccccc5oc43)c3c2oc2ccccc23)/C=C/CCC=C1
• InChI: InChI=1S/C52H36O2/c1-33-30-37(35-16-6-5-7-17-35)27-26-36(33)31-34(2)38-18-8-3-4-9-19-41(40-21-11-10-20-39(38)40)46-32-47-43(50-45-23-13-15-25-49(45)54-52(46)50)28-29-44-42-22-12-14-24-48(42)53-51(44)47/h5-32H,1-4H2/b18-8?,19-9+,36-31-,39-38?,41-40+
• InChIKey: AZFVDOFTINMAEG-DBJQBZRJSA-N
• XLogP: 11.01
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.86
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene?

The IUPAC name of 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene (CID 160823396) is 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene.

What is the SMILES notation for 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene?

The canonical SMILES for 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene is C=C(/C=c1/ccc(-c2ccccc2)cc1=C)C1=c2cccc/c2=C(c2cc3c(ccc4c5ccccc5oc43)c3c2oc2ccccc23)/C=C/CCC=C1.

What is the InChIKey of 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene?

The InChIKey is AZFVDOFTINMAEG-DBJQBZRJSA-N. The full InChI is InChI=1S/C52H36O2/c1-33-30-37(35-16-6-5-7-17-35)27-26-36(33)31-34(2)38-18-8-3-4-9-19-41(40-21-11-10-20-39(38)40)46-32-47-43(50-45-23-13-15-25-49(45)54-52(46)50)28-29-44-42-22-12-14-24-48(42)53-51(44)47/h5-32H,1-4H2/b18-8?,19-9+,36-31-,39-38?,41-40+.

What are the key properties of 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene?

11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene has a molecular weight of 692.86 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[(10E,12E)-5-[(3Z)-3-(6-methylidene-4-phenylcyclohexa-2,4-dien-1-ylidene)prop-1-en-2-yl]-8,9-dihydrobenzo[10]annulen-12-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 160823396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).