7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene

C98H60N2 — CID 155465229

About 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene

7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene (PubChem CID 155465229) has the molecular formula C98H60N2 and a molecular weight of 1265.57 g/mol. Its IUPAC name is 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene.

Molecular Properties

• Compound Name: 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene
• PubChem CID: 155465229
• Molecular Formula: C98H60N2
• Molecular Weight: 1265.57 g/mol
• Exact Mass: 1264.48
• IUPAC Name: 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5c6cc7ccccc7cc6n6c7cc8ccc(-c9ccc%10cc%11c(cc%10c9)c9cc(-c%10ccc(C%12(c%13ccccc%13)c%13ccccc%13-c%13ccccc%13%12)cc%10)cc%10c%12cc%13ccccc%13cc%12n%11c%109)cc8cc7c(c4)c56)cc3)cc21
• InChI: InChI=1S/C98H60N2/c1-97(2)87-25-13-10-22-75(87)78-41-38-66(52-90(78)97)57-28-30-58(31-29-57)71-48-83-79-44-60-16-6-8-18-62(60)53-91(79)99-93-55-67-34-32-64(42-69(67)46-81(93)85(49-71)95(83)99)65-33-35-68-56-94-82(47-70(68)43-65)86-51-72(50-84-80-45-61-17-7-9-19-63(61)54-92(80)100(94)96(84)86)59-36-39-74(40-37-59)98(73-20-4-3-5-21-73)88-26-14-11-23-76(88)77-24-12-15-27-89(77)98/h3-56H,1-2H3
• InChIKey: NOCYIIGCEMDKJQ-UHFFFAOYSA-N
• XLogP: 25.94
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.57
LogP ≤ 5	25.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene?

The IUPAC name of 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene (CID 155465229) is 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene.

What is the SMILES notation for 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene?

The canonical SMILES for 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cc5c6cc7ccccc7cc6n6c7cc8ccc(-c9ccc%10cc%11c(cc%10c9)c9cc(-c%10ccc(C%12(c%13ccccc%13)c%13ccccc%13-c%13ccccc%13%12)cc%10)cc%10c%12cc%13ccccc%13cc%12n%11c%109)cc8cc7c(c4)c56)cc3)cc21.

What is the InChIKey of 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene?

The InChIKey is NOCYIIGCEMDKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H60N2/c1-97(2)87-25-13-10-22-75(87)78-41-38-66(52-90(78)97)57-28-30-58(31-29-57)71-48-83-79-44-60-16-6-8-18-62(60)53-91(79)99-93-55-67-34-32-64(42-69(67)46-81(93)85(49-71)95(83)99)65-33-35-68-56-94-82(47-70(68)43-65)86-51-72(50-84-80-45-61-17-7-9-19-63(61)54-92(80)100(94)96(84)86)59-36-39-74(40-37-59)98(73-20-4-3-5-21-73)88-26-14-11-23-76(88)77-24-12-15-27-89(77)98/h3-56H,1-2H3.

What are the key properties of 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene?

7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene has a molecular weight of 1265.57 g/mol, XLogP of 25.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[14-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaen-7-yl]-14-[4-(9-phenylfluoren-9-yl)phenyl]-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17,19,21,23,25-tridecaene is sourced from PubChem (CID 155465229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).