7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

C40H30 — CID 59330294

About 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene

7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (PubChem CID 59330294) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
• PubChem CID: 59330294
• Molecular Formula: C40H30
• Molecular Weight: 510.68 g/mol
• Exact Mass: 510.23
• IUPAC Name: 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
• SMILES: Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4ccc(-c5ccccc5)cc4)cc3c3ccc(C)c-2c13
• InChI: InChI=1S/C40H30/c1-23-10-16-30-33(19-23)32(29-14-12-28(13-15-29)27-8-6-5-7-9-27)21-35-31-17-11-25(3)39-38-26(4)18-24(2)20-36(38)37(40(31)39)22-34(30)35/h5-22H,1-4H3
• InChIKey: ZGYRKAQAUDACEA-UHFFFAOYSA-N
• XLogP: 11.36
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.68
LogP ≤ 5	11.36
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 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

The IUPAC name of 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene (CID 59330294) is 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene.

What is the SMILES notation for 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

The canonical SMILES for 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is Cc1cc(C)c2c(c1)-c1cc3c4ccc(C)cc4c(-c4ccc(-c5ccccc5)cc4)cc3c3ccc(C)c-2c13.

What is the InChIKey of 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

The InChIKey is ZGYRKAQAUDACEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30/c1-23-10-16-30-33(19-23)32(29-14-12-28(13-15-29)27-8-6-5-7-9-27)21-35-31-17-11-25(3)39-38-26(4)18-24(2)20-36(38)37(40(31)39)22-34(30)35/h5-22H,1-4H3.

What are the key properties of 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene?

7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene has a molecular weight of 510.68 g/mol, XLogP of 11.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 7,16,18,21-tetramethyl-4-(4-phenylphenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene is sourced from PubChem (CID 59330294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).