21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene

C62H40O2 — CID 130225737

About 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene

21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene (PubChem CID 130225737) has the molecular formula C62H40O2 and a molecular weight of 817.00 g/mol. Its IUPAC name is 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene.

Molecular Properties

• Compound Name: 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene
• PubChem CID: 130225737
• Molecular Formula: C62H40O2
• Molecular Weight: 817.00 g/mol
• Exact Mass: 816.30
• IUPAC Name: 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene
• SMILES: C1=CCC2C(=C1)C(c1ccccc1)=c1ccccc1=C2C1=CC2Oc3c(c4ccccc4c4c3oc3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)C2C=C1
• InChI: InChI=1S/C62H40O2/c1-3-17-37(18-4-1)55-41-21-7-11-25-45(41)57(46-26-12-8-22-42(46)55)39-31-33-51-53(35-39)63-61-59(51)49-29-15-16-30-50(49)60-52-34-32-40(36-54(52)64-62(60)61)58-47-27-13-9-23-43(47)56(38-19-5-2-6-20-38)44-24-10-14-28-48(44)58/h1-27,29-36,48,52,54H,28H2
• InChIKey: BUVIGKDCHQHQBD-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 22.37 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.00
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene?

The IUPAC name of 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene (CID 130225737) is 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene.

What is the SMILES notation for 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene?

The canonical SMILES for 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene is C1=CCC2C(=C1)C(c1ccccc1)=c1ccccc1=C2C1=CC2Oc3c(c4ccccc4c4c3oc3cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc34)C2C=C1.

What is the InChIKey of 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene?

The InChIKey is BUVIGKDCHQHQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40O2/c1-3-17-37(18-4-1)55-41-21-7-11-25-45(41)57(46-26-12-8-22-42(46)55)39-31-33-51-53(35-39)63-61-59(51)49-29-15-16-30-50(49)60-52-34-32-40(36-54(52)64-62(60)61)58-47-27-13-9-23-43(47)56(38-19-5-2-6-20-38)44-24-10-14-28-48(44)58/h1-27,29-36,48,52,54H,28H2.

What are the key properties of 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene?

21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene has a molecular weight of 817.00 g/mol, XLogP of 14.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(10-phenyl-1,9a-dihydroanthracen-9-yl)-6-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,19,21-decaene is sourced from PubChem (CID 130225737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).