24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

C59H41N3 — CID 170651763

About 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene

24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (PubChem CID 170651763) has the molecular formula C59H41N3 and a molecular weight of 792.00 g/mol. Its IUPAC name is 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

Molecular Properties

• Compound Name: 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
• PubChem CID: 170651763
• Molecular Formula: C59H41N3
• Molecular Weight: 792.00 g/mol
• Exact Mass: 791.33
• IUPAC Name: 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
• SMILES: CC1(C)c2ccc3cc2-c2cc(ccc21)N(c1cccc2c1c1ccccc1n2-c1cccc2ccccc12)c1cccc(c1)-c1cccc(c1)N3c1ccc2ccccc2c1
• InChI: InChI=1S/C59H41N3/c1-59(2)52-31-29-46-36-50(52)51-37-47(30-32-53(51)59)61(44-20-10-18-42(35-44)41-17-9-19-43(34-41)60(46)45-28-27-38-13-3-4-15-40(38)33-45)56-25-12-26-57-58(56)49-22-7-8-23-55(49)62(57)54-24-11-16-39-14-5-6-21-48(39)54/h3-37H,1-2H3
• InChIKey: PANNUBBYAMDPAR-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.00
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

The IUPAC name of 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene (CID 170651763) is 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene.

What is the SMILES notation for 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

The canonical SMILES for 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is CC1(C)c2ccc3cc2-c2cc(ccc21)N(c1cccc2c1c1ccccc1n2-c1cccc2ccccc12)c1cccc(c1)-c1cccc(c1)N3c1ccc2ccccc2c1.

What is the InChIKey of 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

The InChIKey is PANNUBBYAMDPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3/c1-59(2)52-31-29-46-36-50(52)51-37-47(30-32-53(51)59)61(44-20-10-18-42(35-44)41-17-9-19-43(34-41)60(46)45-28-27-38-13-3-4-15-40(38)33-45)56-25-12-26-57-58(56)49-22-7-8-23-55(49)62(57)54-24-11-16-39-14-5-6-21-48(39)54/h3-37H,1-2H3.

What are the key properties of 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene?

24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene has a molecular weight of 792.00 g/mol, XLogP of 16.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 24,24-dimethyl-7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-4-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene is sourced from PubChem (CID 170651763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).