10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

C55H38 — CID 58175520

About 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene

10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (PubChem CID 58175520) has the molecular formula C55H38 and a molecular weight of 698.91 g/mol. Its IUPAC name is 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
• PubChem CID: 58175520
• Molecular Formula: C55H38
• Molecular Weight: 698.91 g/mol
• Exact Mass: 698.30
• IUPAC Name: 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccccc4)c4ccccc34)ccc2-c2cc3cc4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4cc3cc21
• InChI: InChI=1S/C55H38/c1-55(2)53-33-39(46-28-26-44(36-15-7-4-8-16-36)48-18-10-12-20-50(46)48)23-24-51(53)52-32-41-29-37-21-22-38(30-40(37)31-42(41)34-54(52)55)45-27-25-43(35-13-5-3-6-14-35)47-17-9-11-19-49(45)47/h3-34H,1-2H3
• InChIKey: VNQQJMOWXQYWLJ-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.91
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

The IUPAC name of 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene (CID 58175520) is 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene.

What is the SMILES notation for 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

The canonical SMILES for 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is CC1(C)c2cc(-c3ccc(-c4ccccc4)c4ccccc34)ccc2-c2cc3cc4ccc(-c5ccc(-c6ccccc6)c6ccccc56)cc4cc3cc21.

What is the InChIKey of 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

The InChIKey is VNQQJMOWXQYWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38/c1-55(2)53-33-39(46-28-26-44(36-15-7-4-8-16-36)48-18-10-12-20-50(46)48)23-24-51(53)52-32-41-29-37-21-22-38(30-40(37)31-42(41)34-54(52)55)45-27-25-43(35-13-5-3-6-14-35)47-17-9-11-19-49(45)47/h3-34H,1-2H3.

What are the key properties of 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene?

10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene has a molecular weight of 698.91 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene is sourced from PubChem (CID 58175520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).