7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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

C62H40N4 — CID 170651831

About 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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

7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 170651831) has the molecular formula C62H40N4 and a molecular weight of 841.03 g/mol. Its IUPAC name is 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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: 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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: 170651831
• Molecular Formula: C62H40N4
• Molecular Weight: 841.03 g/mol
• Exact Mass: 840.33
• IUPAC Name: 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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: c1ccc(-n2c3ccc4cc3c3cc(ccc32)n(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c2cccc(c2)c2cccc(c2)n4-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C62H40N4/c1-2-19-46(20-3-1)65-60-32-29-51-39-56(60)57-40-52(30-33-61(57)65)64(48-22-11-18-45(37-48)44-17-10-21-47(36-44)63(51)49-28-27-41-13-4-5-15-43(41)35-49)50-31-34-62-55(38-50)54-24-8-9-25-59(54)66(62)58-26-12-16-42-14-6-7-23-53(42)58/h1-40H
• InChIKey: VGUPQVDQHFPBCF-UHFFFAOYSA-N
• XLogP: 16.35
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	841.03
LogP ≤ 5	16.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 170651831) is 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 c1ccc(-n2c3ccc4cc3c3cc(ccc32)n(-c2ccc3c(c2)c2ccccc2n3-c2cccc3ccccc23)c2cccc(c2)c2cccc(c2)n4-c2ccc3ccccc3c2)cc1.

What is the InChIKey of 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 VGUPQVDQHFPBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N4/c1-2-19-46(20-3-1)65-60-32-29-51-39-56(60)57-40-52(30-33-61(57)65)64(48-22-11-18-45(37-48)44-17-10-21-47(36-44)63(51)49-28-27-41-13-4-5-15-43(41)35-49)50-31-34-62-55(38-50)54-24-8-9-25-59(54)66(62)58-26-12-16-42-14-6-7-23-53(42)58/h1-40H.

What are the key properties of 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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?

7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 841.03 g/mol, XLogP of 16.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-24-phenyl-7,18,24-triazahexacyclo[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 170651831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).