7-(9,9-dimethylfluoren-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

C67H46N4 — CID 170651734

About 7-(9,9-dimethylfluoren-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-(9,9-dimethylfluoren-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 170651734) has the molecular formula C67H46N4 and a molecular weight of 907.13 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-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-(9,9-dimethylfluoren-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: 170651734
• Molecular Formula: C67H46N4
• Molecular Weight: 907.13 g/mol
• Exact Mass: 906.37
• IUPAC Name: 7-(9,9-dimethylfluoren-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: CC1(C)c2ccccc2-c2ccc(-n3c4cccc(c4)c4cccc(c4)n(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4ccc5c(c4)c4cc3ccc4n5-c3ccccc3)cc21
• InChI: InChI=1S/C67H46N4/c1-67(2)60-26-10-8-24-54(60)55-33-29-52(42-61(55)67)69-48-22-13-18-45(38-48)44-17-12-21-47(37-44)68(50-30-34-64-58(40-50)59-41-51(69)31-35-65(59)70(64)46-19-4-3-5-20-46)49-32-36-66-57(39-49)56-25-9-11-27-63(56)71(66)62-28-14-16-43-15-6-7-23-53(43)62/h3-42H,1-2H3
• InChIKey: WPHNHJVCKBJWGV-UHFFFAOYSA-N
• XLogP: 17.51
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	907.13
LogP ≤ 5	17.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylfluoren-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-(9,9-dimethylfluoren-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 170651734) is 7-(9,9-dimethylfluoren-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-(9,9-dimethylfluoren-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-(9,9-dimethylfluoren-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 CC1(C)c2ccccc2-c2ccc(-n3c4cccc(c4)c4cccc(c4)n(-c4ccc5c(c4)c4ccccc4n5-c4cccc5ccccc45)c4ccc5c(c4)c4cc3ccc4n5-c3ccccc3)cc21.

What is the InChIKey of 7-(9,9-dimethylfluoren-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 WPHNHJVCKBJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N4/c1-67(2)60-26-10-8-24-54(60)55-33-29-52(42-61(55)67)69-48-22-13-18-45(38-48)44-17-12-21-47(37-44)68(50-30-34-64-58(40-50)59-41-51(69)31-35-65(59)70(64)46-19-4-3-5-20-46)49-32-36-66-57(39-49)56-25-9-11-27-63(56)71(66)62-28-14-16-43-15-6-7-23-53(43)62/h3-42H,1-2H3.

What are the key properties of 7-(9,9-dimethylfluoren-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-(9,9-dimethylfluoren-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 907.13 g/mol, XLogP of 17.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9,9-dimethylfluoren-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 170651734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).