14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene

C150H92N4O2 — CID 162139305

About 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene

14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene (PubChem CID 162139305) has the molecular formula C150H92N4O2 and a molecular weight of 1982.41 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene.

Molecular Properties

• Compound Name: 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene
• PubChem CID: 162139305
• Molecular Formula: C150H92N4O2
• Molecular Weight: 1982.41 g/mol
• Exact Mass: 1980.72
• IUPAC Name: 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc4c5cc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6cc5n5c6cc7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7cc6c(c3)c45)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5cc6ccc(-c7ccc8oc9cc%10ccccc%10cc9c8c7)cc6cc5n5c6cc7cc(-c8ccc9oc%10cc%11ccccc%11cc%10c9c8)ccc7cc6c(c3)c45)cc21
• InChI: InChI=1S/C77H49N3.C73H43NO2/c1-77(2)68-22-12-9-19-58(68)59-32-29-52(43-69(59)77)55-41-66-64-39-50-27-25-46(48-30-33-72-62(37-48)60-20-10-13-23-70(60)78(72)56-15-5-3-6-16-56)35-53(50)44-74(64)80-75-45-54-36-47(26-28-51(54)40-65(75)67(42-55)76(66)80)49-31-34-73-63(38-49)61-21-11-14-24-71(61)79(73)57-17-7-4-8-18-57;1-73(2)64-14-8-7-13-54(64)55-22-19-50(35-65(55)73)53-33-62-56-27-48-17-15-44(46-20-23-68-58(31-46)60-29-40-9-3-5-11-42(40)38-70(60)75-68)25-51(48)36-66(56)74-67-37-52-26-45(16-18-49(52)28-57(67)63(34-53)72(62)74)47-21-24-69-59(32-47)61-30-41-10-4-6-12-43(41)39-71(61)76-69/h3-45H,1-2H3;3-39H,1-2H3
• InChIKey: ZJSFIKUPFJCECF-UHFFFAOYSA-N
• XLogP: 41.20
• TPSA: 44.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1982.41
LogP ≤ 5	41.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene?

The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene (CID 162139305) is 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene.

What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene?

The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene is CC1(C)c2ccccc2-c2ccc(-c3cc4c5cc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6cc5n5c6cc7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc7cc6c(c3)c45)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc4c5cc6ccc(-c7ccc8oc9cc%10ccccc%10cc9c8c7)cc6cc5n5c6cc7cc(-c8ccc9oc%10cc%11ccccc%11cc%10c9c8)ccc7cc6c(c3)c45)cc21.

What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene?

The InChIKey is ZJSFIKUPFJCECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H49N3.C73H43NO2/c1-77(2)68-22-12-9-19-58(68)59-32-29-52(43-69(59)77)55-41-66-64-39-50-27-25-46(48-30-33-72-62(37-48)60-20-10-13-23-70(60)78(72)56-15-5-3-6-16-56)35-53(50)44-74(64)80-75-45-54-36-47(26-28-51(54)40-65(75)67(42-55)76(66)80)49-31-34-73-63(38-49)61-21-11-14-24-71(61)79(73)57-17-7-4-8-18-57;1-73(2)64-14-8-7-13-54(64)55-22-19-50(35-65(55)73)53-33-62-56-27-48-17-15-44(46-20-23-68-58(31-46)60-29-40-9-3-5-11-42(40)38-70(60)75-68)25-51(48)36-66(56)74-67-37-52-26-45(16-18-49(52)28-57(67)63(34-53)72(62)74)47-21-24-69-59(32-47)61-30-41-10-4-6-12-43(41)39-71(61)76-69/h3-45H,1-2H3;3-39H,1-2H3.

What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene?

14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene has a molecular weight of 1982.41 g/mol, XLogP of 41.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethylfluoren-2-yl)-6,22-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(26),18,20,22,24-tridecaene;14-(9,9-dimethylfluoren-2-yl)-6,22-bis(9-phenylcarbazol-3-yl)-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(26),18,20,22,24-tridecaene is sourced from PubChem (CID 162139305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).