26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene

C72H56 — CID 123929460

About 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene

26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene (PubChem CID 123929460) has the molecular formula C72H56 and a molecular weight of 921.24 g/mol. Its IUPAC name is 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene.

Molecular Properties

• Compound Name: 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene
• PubChem CID: 123929460
• Molecular Formula: C72H56
• Molecular Weight: 921.24 g/mol
• Exact Mass: 920.44
• IUPAC Name: 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene
• SMILES: CC=C(c1ccc2c(c1)-c1ccc(-c3ccc4c5c(cccc35)C=C(c3ccccc3)c3cc5c(cc3C(c3ccccc3)=C4)C3=CC=C(C4=C(C)C=CCC4C)C4C=CC=C5C34)c3cccc-2c13)C(C)C
• InChI: InChI=1S/C72H56/c1-6-50(42(2)3)47-29-31-53-56-26-15-25-55-52(33-34-60(71(55)56)64(53)37-47)51-32-30-49-39-63(46-21-11-8-12-22-46)68-41-66-61-36-35-59(69-43(4)17-13-18-44(69)5)57-27-16-28-58(72(57)61)65(66)40-67(68)62(45-19-9-7-10-20-45)38-48-23-14-24-54(51)70(48)49/h6-17,19-42,44,57,72H,18H2,1-5H3
• InChIKey: ANXWFHUJABGXPT-UHFFFAOYSA-N
• XLogP: 19.29
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.24
LogP ≤ 5	19.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene?

The IUPAC name of 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene (CID 123929460) is 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene.

What is the SMILES notation for 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene?

The canonical SMILES for 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene is CC=C(c1ccc2c(c1)-c1ccc(-c3ccc4c5c(cccc35)C=C(c3ccccc3)c3cc5c(cc3C(c3ccccc3)=C4)C3=CC=C(C4=C(C)C=CCC4C)C4C=CC=C5C34)c3cccc-2c13)C(C)C.

What is the InChIKey of 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene?

The InChIKey is ANXWFHUJABGXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H56/c1-6-50(42(2)3)47-29-31-53-56-26-15-25-55-52(33-34-60(71(55)56)64(53)37-47)51-32-30-49-39-63(46-21-11-8-12-22-46)68-41-66-61-36-35-59(69-43(4)17-13-18-44(69)5)57-27-16-28-58(72(57)61)65(66)40-67(68)62(45-19-9-7-10-20-45)38-48-23-14-24-54(51)70(48)49/h6-17,19-42,44,57,72H,18H2,1-5H3.

What are the key properties of 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene?

26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene has a molecular weight of 921.24 g/mol, XLogP of 19.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-10-[9-(4-methylpent-2-en-3-yl)fluoranthen-3-yl]-5,17-diphenylheptacyclo[19.7.1.17,11.02,20.04,18.025,29.015,30]triaconta-1(28),2,4(18),5,7,9,11,13,15(30),16,19,21,23,26-tetradecaene is sourced from PubChem (CID 123929460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).