19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

C52H32 — CID 156734625

About 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (PubChem CID 156734625) has the molecular formula C52H32 and a molecular weight of 656.83 g/mol. Its IUPAC name is 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.

Molecular Properties

• Compound Name: 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
• PubChem CID: 156734625
• Molecular Formula: C52H32
• Molecular Weight: 656.83 g/mol
• Exact Mass: 656.25
• IUPAC Name: 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
• SMILES: CC1(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccccc2-c2cc(-c3ccc4c(c3)-c3cccc5c3c-4cc3ccccc35)ccc21
• InChI: InChI=1S/C52H32/c1-52(34-23-25-40-38-15-5-4-13-36(38)37-14-6-7-16-39(37)46(40)30-34)49-20-9-8-17-42(49)47-28-32(22-26-50(47)52)31-21-24-41-45(27-31)44-19-10-18-43-35-12-3-2-11-33(35)29-48(41)51(43)44/h2-30H,1H3
• InChIKey: MGQALKDFVRRGQH-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.83
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

The IUPAC name of 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (CID 156734625) is 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.

What is the SMILES notation for 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

The canonical SMILES for 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is CC1(c2ccc3c4ccccc4c4ccccc4c3c2)c2ccccc2-c2cc(-c3ccc4c(c3)-c3cccc5c3c-4cc3ccccc35)ccc21.

What is the InChIKey of 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

The InChIKey is MGQALKDFVRRGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32/c1-52(34-23-25-40-38-15-5-4-13-36(38)37-14-6-7-16-39(37)46(40)30-34)49-20-9-8-17-42(49)47-28-32(22-26-50(47)52)31-21-24-41-45(27-31)44-19-10-18-43-35-12-3-2-11-33(35)29-48(41)51(43)44/h2-30H,1H3.

What are the key properties of 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?

19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene has a molecular weight of 656.83 g/mol, XLogP of 14.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(9-methyl-9-triphenylen-2-ylfluoren-3-yl)pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is sourced from PubChem (CID 156734625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).