3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene

C70H42 — CID 123989486

About 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene

3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene (PubChem CID 123989486) has the molecular formula C70H42 and a molecular weight of 883.11 g/mol. Its IUPAC name is 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene.

Molecular Properties

• Compound Name: 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene
• PubChem CID: 123989486
• Molecular Formula: C70H42
• Molecular Weight: 883.11 g/mol
• Exact Mass: 882.33
• IUPAC Name: 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene
• SMILES: c1ccc(-c2ccccc2-c2ccc3cc4c5c(-c6ccccc6)c6c(cc7c8ccc(-c9ccccc9-c9ccccc9)cc8c8cccc6c87)c(-c6ccccc6)c5c5cccc(c3c2)c54)cc1
• InChI: InChI=1S/C70H42/c1-5-19-43(20-6-1)50-27-13-15-29-52(50)47-35-36-49-41-62-67-55(59(49)39-47)31-17-34-58(67)69-64(45-23-9-3-10-24-45)63-42-61-54-38-37-48(53-30-16-14-28-51(53)44-21-7-2-8-22-44)40-60(54)56-32-18-33-57(66(56)61)68(63)65(70(62)69)46-25-11-4-12-26-46/h1-42H
• InChIKey: JMGQOUFNEZTBFJ-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	883.11
LogP ≤ 5	19.79
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 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene?

The IUPAC name of 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene (CID 123989486) is 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene.

What is the SMILES notation for 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene?

The canonical SMILES for 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene is c1ccc(-c2ccccc2-c2ccc3cc4c5c(-c6ccccc6)c6c(cc7c8ccc(-c9ccccc9-c9ccccc9)cc8c8cccc6c87)c(-c6ccccc6)c5c5cccc(c3c2)c54)cc1.

What is the InChIKey of 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene?

The InChIKey is JMGQOUFNEZTBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42/c1-5-19-43(20-6-1)50-27-13-15-29-52(50)47-35-36-49-41-62-67-55(59(49)39-47)31-17-34-58(67)69-64(45-23-9-3-10-24-45)63-42-61-54-38-37-48(53-30-16-14-28-51(53)44-21-7-2-8-22-44)40-60(54)56-32-18-33-57(66(56)61)68(63)65(70(62)69)46-25-11-4-12-26-46/h1-42H.

What are the key properties of 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene?

3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene has a molecular weight of 883.11 g/mol, XLogP of 19.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,19-diphenyl-12,28-bis(2-phenylphenyl)nonacyclo[19.11.1.15,9.02,20.04,18.010,15.025,33.026,31.016,34]tetratriaconta-1(33),2,4(18),5,7,9(34),10(15),11,13,16,19,21,23,25,27,29,31-heptadecaene is sourced from PubChem (CID 123989486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).