7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene

C84H58N2 — CID 139540896

About 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene

7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene (PubChem CID 139540896) has the molecular formula C84H58N2 and a molecular weight of 1095.40 g/mol. Its IUPAC name is 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene.

Molecular Properties

• Compound Name: 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene
• PubChem CID: 139540896
• Molecular Formula: C84H58N2
• Molecular Weight: 1095.40 g/mol
• Exact Mass: 1094.46
• IUPAC Name: 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(N3c4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc(c4)N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(c4cccc3c4)c3cc(-c4ccccc4)ccc3-5)cc21
• InChI: InChI=1S/C84H58N2/c1-82(2)73-31-14-10-26-66(73)69-44-41-61(51-78(69)82)86-60-25-18-24-58(49-60)83(3)79-48-56(54-22-8-5-9-23-54)38-43-70(79)71-45-42-62(52-80(71)83)85(59-39-36-55(37-40-59)53-20-6-4-7-21-53)63-46-57(47-64(86)50-63)65-30-19-35-77-81(65)72-29-13-17-34-76(72)84(77)74-32-15-11-27-67(74)68-28-12-16-33-75(68)84/h4-52H,1-3H3
• InChIKey: LLFXYOPMTGRRNW-UHFFFAOYSA-N
• XLogP: 21.93
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.40
LogP ≤ 5	21.93
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-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene?

The IUPAC name of 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene (CID 139540896) is 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene.

What is the SMILES notation for 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene?

The canonical SMILES for 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene is CC1(C)c2ccccc2-c2ccc(N3c4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc(c4)N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(c4cccc3c4)c3cc(-c4ccccc4)ccc3-5)cc21.

What is the InChIKey of 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene?

The InChIKey is LLFXYOPMTGRRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N2/c1-82(2)73-31-14-10-26-66(73)69-44-41-61(51-78(69)82)86-60-25-18-24-58(49-60)83(3)79-48-56(54-22-8-5-9-23-54)38-43-70(79)71-45-42-62(52-80(71)83)85(59-39-36-55(37-40-59)53-20-6-4-7-21-53)63-46-57(47-64(86)50-63)65-30-19-35-77-81(65)72-29-13-17-34-76(72)84(77)74-32-15-11-27-67(74)68-28-12-16-33-75(68)84/h4-52H,1-3H3.

What are the key properties of 7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene?

7-(9,9-dimethylfluoren-2-yl)-1-methyl-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene has a molecular weight of 1095.40 g/mol, XLogP of 21.93, 5 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-21-phenyl-13-(4-phenylphenyl)-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(23),19,21-dodecaene is sourced from PubChem (CID 139540896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).