24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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

C63H44N4 — CID 170652109

About 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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 170652109) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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: 170652109
• Molecular Formula: C63H44N4
• Molecular Weight: 857.07 g/mol
• Exact Mass: 856.36
• IUPAC Name: 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-c1ccccc1)c1cccc(c1)-c1cccc(c1)N3c1ccc2c3ccccc3n(-c3ccccc3)c2c1
• InChI: InChI=1S/C63H44N4/c1-63(2)55-34-31-47-38-53(55)54-39-48(32-35-56(54)63)65(59-28-15-29-60-62(59)52-25-10-12-27-58(52)66(60)43-18-5-3-6-19-43)46-23-14-17-42(37-46)41-16-13-22-45(36-41)64(47)49-30-33-51-50-24-9-11-26-57(50)67(61(51)40-49)44-20-7-4-8-21-44/h3-40H,1-2H3
• InChIKey: XNNAHKNCZKMEAN-UHFFFAOYSA-N
• XLogP: 17.11
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.07
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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 170652109) is 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-c1ccccc1)c1cccc(c1)-c1cccc(c1)N3c1ccc2c3ccccc3n(-c3ccccc3)c2c1.

What is the InChIKey of 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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 XNNAHKNCZKMEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-63(2)55-34-31-47-38-53(55)54-39-48(32-35-56(54)63)65(59-28-15-29-60-62(59)52-25-10-12-27-58(52)66(60)43-18-5-3-6-19-43)46-23-14-17-42(37-46)41-16-13-22-45(36-41)64(47)49-30-33-51-50-24-9-11-26-57(50)67(61(51)40-49)44-20-7-4-8-21-44/h3-40H,1-2H3.

What are the key properties of 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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 857.07 g/mol, XLogP of 17.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24,24-dimethyl-7-(9-phenylcarbazol-2-yl)-18-(9-phenylcarbazol-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 170652109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).