7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene

C72H50N2 — CID 139541049

About 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene

7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene (PubChem CID 139541049) has the molecular formula C72H50N2 and a molecular weight of 943.21 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene.

Molecular Properties

• Compound Name: 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene
• PubChem CID: 139541049
• Molecular Formula: C72H50N2
• Molecular Weight: 943.21 g/mol
• Exact Mass: 942.40
• IUPAC Name: 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(N3c4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc(c4)N(c4ccccc4)c4ccc5c(c4)C(C)(c4cccc3c4)c3ccccc3-5)cc21
• InChI: InChI=1S/C72H50N2/c1-70(2)61-29-12-7-23-54(61)58-37-35-49(43-67(58)70)74-48-22-17-19-46(41-48)71(3)62-30-13-8-24-55(62)59-38-36-50(44-68(59)71)73(47-20-5-4-6-21-47)51-39-45(40-52(74)42-51)53-28-18-34-66-69(53)60-27-11-16-33-65(60)72(66)63-31-14-9-25-56(63)57-26-10-15-32-64(57)72/h4-44H,1-3H3
• InChIKey: UJCFIXADZVIYNX-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.21
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene?

The IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene (CID 139541049) is 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene.

What is the SMILES notation for 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene?

The canonical SMILES for 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene is CC1(C)c2ccccc2-c2ccc(N3c4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc(c4)N(c4ccccc4)c4ccc5c(c4)C(C)(c4cccc3c4)c3ccccc3-5)cc21.

What is the InChIKey of 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene?

The InChIKey is UJCFIXADZVIYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H50N2/c1-70(2)61-29-12-7-23-54(61)58-37-35-49(43-67(58)70)74-48-22-17-19-46(41-48)71(3)62-30-13-8-24-55(62)59-38-36-50(44-68(59)71)73(47-20-5-4-6-21-47)51-39-45(40-52(74)42-51)53-28-18-34-66-69(53)60-27-11-16-33-65(60)72(66)63-31-14-9-25-56(63)57-26-10-15-32-64(57)72/h4-44H,1-3H3.

What are the key properties of 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene?

7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene has a molecular weight of 943.21 g/mol, XLogP of 18.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9,9-dimethylfluoren-2-yl)-1-methyl-13-phenyl-10-(9,9'-spirobi[fluorene]-4'-yl)-7,13-diazahexacyclo[12.9.2.12,6.18,12.017,24.018,23]heptacosa-2(27),3,5,8,10,12(26),14(25),15,17(24),18,20,22-dodecaene is sourced from PubChem (CID 139541049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).