3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene

C73H46 — CID 58402144

About 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene

3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene (PubChem CID 58402144) has the molecular formula C73H46 and a molecular weight of 923.17 g/mol. Its IUPAC name is 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene.

Molecular Properties

• Compound Name: 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
• PubChem CID: 58402144
• Molecular Formula: C73H46
• Molecular Weight: 923.17 g/mol
• Exact Mass: 922.36
• IUPAC Name: 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
• SMILES: CC(C)c1cc2ccc3ccc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4ccc5c7c(ccc-6c47)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c4ccc(c1)c2c34
• InChI: InChI=1S/C73H46/c1-42(2)51-39-49-28-27-47-29-32-52(55-34-31-50(40-51)62(49)63(47)55)48-30-33-56-61(41-48)67(46-23-13-6-14-24-46)73-60-38-37-58-68-57(35-36-59(69(60)68)72(73)66(56)45-21-11-5-12-22-45)70-64(43-17-7-3-8-18-43)53-25-15-16-26-54(53)65(71(58)70)44-19-9-4-10-20-44/h3-42H,1-2H3
• InChIKey: HVAWBISTQIRSOL-UHFFFAOYSA-N
• XLogP: 20.80
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	923.17
LogP ≤ 5	20.80
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 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?

The IUPAC name of 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene (CID 58402144) is 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene.

What is the SMILES notation for 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?

The canonical SMILES for 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene is CC(C)c1cc2ccc3ccc(-c4ccc5c(-c6ccccc6)c6c(c(-c7ccccc7)c5c4)-c4ccc5c7c(ccc-6c47)-c4c-5c(-c5ccccc5)c5ccccc5c4-c4ccccc4)c4ccc(c1)c2c34.

What is the InChIKey of 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?

The InChIKey is HVAWBISTQIRSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46/c1-42(2)51-39-49-28-27-47-29-32-52(55-34-31-50(40-51)62(49)63(47)55)48-30-33-56-61(41-48)67(46-23-13-6-14-24-46)73-60-38-37-58-68-57(35-36-59(69(60)68)72(73)66(56)45-21-11-5-12-22-45)70-64(43-17-7-3-8-18-43)53-25-15-16-26-54(53)65(71(58)70)44-19-9-4-10-20-44/h3-42H,1-2H3.

What are the key properties of 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene?

3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene has a molecular weight of 923.17 g/mol, XLogP of 20.80, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3,10,17,24-tetraphenyl-6-(7-propan-2-ylpyren-1-yl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene is sourced from PubChem (CID 58402144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).