7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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

C64H47N3 — CID 170652067

About 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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

7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 170652067) has the molecular formula C64H47N3 and a molecular weight of 858.10 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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: 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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: 170652067
• Molecular Formula: C64H47N3
• Molecular Weight: 858.10 g/mol
• Exact Mass: 857.38
• IUPAC Name: 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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)N3c1ccc2c(c1)C(C)(C)c1ccccc1-2
• InChI: InChI=1S/C64H47N3/c1-63(2)55-33-30-45-37-52(55)53-38-46(31-34-56(53)63)66(60-27-14-28-61-62(60)51-23-8-10-25-59(51)67(61)58-26-13-16-40-15-5-6-21-48(40)58)44-20-12-18-42(36-44)41-17-11-19-43(35-41)65(45)47-29-32-50-49-22-7-9-24-54(49)64(3,4)57(50)39-47/h5-39H,1-4H3
• InChIKey: CYWMIZNTIGZLCM-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	858.10
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 170652067) is 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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)N3c1ccc2c(c1)C(C)(C)c1ccccc1-2.

What is the InChIKey of 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 CYWMIZNTIGZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N3/c1-63(2)55-33-30-45-37-52(55)53-38-46(31-34-56(53)63)66(60-27-14-28-61-62(60)51-23-8-10-25-59(51)67(61)58-26-13-16-40-15-5-6-21-48(40)58)44-20-12-18-42(36-44)41-17-11-19-43(35-41)65(45)47-29-32-50-49-22-7-9-24-54(49)64(3,4)57(50)39-47/h5-39H,1-4H3.

What are the key properties of 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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?

7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 858.10 g/mol, XLogP of 17.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-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 170652067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).