7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene

C64H50 — CID 156675148

About 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene

7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene (PubChem CID 156675148) has the molecular formula C64H50 and a molecular weight of 819.10 g/mol. Its IUPAC name is 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene.

Molecular Properties

• Compound Name: 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene
• PubChem CID: 156675148
• Molecular Formula: C64H50
• Molecular Weight: 819.10 g/mol
• Exact Mass: 818.39
• IUPAC Name: 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene
• SMILES: CC1(C)c2ccc(-c3ccc4ccc5c(-c6ccc7c(c6)-c6c(ccc8c6C(C)(C)c6ccccc6-8)C7(C)C)ccc6ccc3c4c65)cc2-c2c1ccc1c2C(C)(C)c2ccccc2-1
• InChI: InChI=1S/C64H50/c1-61(2)51-29-21-37(33-47(51)57-53(61)31-27-45-41-13-9-11-15-49(41)63(5,6)59(45)57)39-23-17-35-20-26-44-40(24-18-36-19-25-43(39)55(35)56(36)44)38-22-30-52-48(34-38)58-54(62(52,3)4)32-28-46-42-14-10-12-16-50(42)64(7,8)60(46)58/h9-34H,1-8H3
• InChIKey: HRPKDPILUDXEHX-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.10
LogP ≤ 5	17.14
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 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene?

The IUPAC name of 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene (CID 156675148) is 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene.

What is the SMILES notation for 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene?

The canonical SMILES for 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene is CC1(C)c2ccc(-c3ccc4ccc5c(-c6ccc7c(c6)-c6c(ccc8c6C(C)(C)c6ccccc6-8)C7(C)C)ccc6ccc3c4c65)cc2-c2c1ccc1c2C(C)(C)c2ccccc2-1.

What is the InChIKey of 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene?

The InChIKey is HRPKDPILUDXEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50/c1-61(2)51-29-21-37(33-47(51)57-53(61)31-27-45-41-13-9-11-15-49(41)63(5,6)59(45)57)39-23-17-35-20-26-44-40(24-18-36-19-25-43(39)55(35)56(36)44)38-22-30-52-48(34-38)58-54(62(52,3)4)32-28-46-42-14-10-12-16-50(42)64(7,8)60(46)58/h9-34H,1-8H3.

What are the key properties of 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene?

7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene has a molecular weight of 819.10 g/mol, XLogP of 17.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7,7,12,12-tetramethyl-10-[6-(7,7,12,12-tetramethylindeno[1,2-c]fluoren-10-yl)pyren-1-yl]indeno[1,2-c]fluorene is sourced from PubChem (CID 156675148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).