10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C48H32O2 — CID 118145492

About 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 118145492) has the molecular formula C48H32O2 and a molecular weight of 640.78 g/mol. Its IUPAC name is 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

• Compound Name: 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• PubChem CID: 118145492
• Molecular Formula: C48H32O2
• Molecular Weight: 640.78 g/mol
• Exact Mass: 640.24
• IUPAC Name: 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
• SMILES: C=C/C=C\C=C1/Oc2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5O6)cc4)cc3)cc2-c2ccccc21
• InChI: InChI=1S/C48H32O2/c1-2-3-4-16-45-42-14-8-7-13-40(42)44-31-37(27-29-48(44)49-45)35-24-20-33(21-25-35)32-18-22-34(23-19-32)36-26-28-47-43(30-36)39-12-6-5-11-38(39)41-15-9-10-17-46(41)50-47/h2-31H,1H2/b4-3-,45-16-
• InChIKey: RAYWXLUYCLWLMS-INTUICKHSA-N
• XLogP: 13.27
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.78
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The IUPAC name of 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 118145492) is 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

What is the SMILES notation for 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The canonical SMILES for 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is C=C/C=C\C=C1/Oc2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5O6)cc4)cc3)cc2-c2ccccc21.

What is the InChIKey of 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

The InChIKey is RAYWXLUYCLWLMS-INTUICKHSA-N. The full InChI is InChI=1S/C48H32O2/c1-2-3-4-16-45-42-14-8-7-13-40(42)44-31-37(27-29-48(44)49-45)35-24-20-33(21-25-35)32-18-22-34(23-19-32)36-26-28-47-43(30-36)39-12-6-5-11-38(39)41-15-9-10-17-46(41)50-47/h2-31H,1H2/b4-3-,45-16-.

What are the key properties of 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?

10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 640.78 g/mol, XLogP of 13.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-[(6Z)-6-[(2Z)-penta-2,4-dienylidene]benzo[c]chromen-2-yl]phenyl]phenyl]-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 118145492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).