10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C75H53NO — CID 153278235

About 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 153278235) has the molecular formula C75H53NO and a molecular weight of 984.26 g/mol. Its IUPAC name is 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 153278235
• Molecular Formula: C75H53NO
• Molecular Weight: 984.26 g/mol
• Exact Mass: 983.41
• IUPAC Name: 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3cc4c(cc32)C(C)(C)c2ccccc2N4c2cccc3c2oc2c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccc3c5c(ccc-4c25)C=C3)cc1C
• InChI: InChI=1S/C75H53NO/c1-42-26-32-48(38-44(42)3)74(49-33-27-43(2)45(4)39-49)57-20-10-9-18-52(57)56-40-67-64(41-63(56)74)73(5,6)60-23-13-14-24-65(60)76(67)66-25-15-19-53-54-35-37-62-70(72(54)77-71(53)66)55-34-30-46-28-29-47-31-36-61(69(55)68(46)47)75(62)58-21-11-7-16-50(58)51-17-8-12-22-59(51)75/h7-41H,1-6H3
• InChIKey: LZZMSPJXBCWYPX-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.26
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 153278235) is 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1ccc(C2(c3ccc(C)c(C)c3)c3ccccc3-c3cc4c(cc32)C(C)(C)c2ccccc2N4c2cccc3c2oc2c4c(ccc23)C2(c3ccccc3-c3ccccc32)c2ccc3c5c(ccc-4c25)C=C3)cc1C.

What is the InChIKey of 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is LZZMSPJXBCWYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H53NO/c1-42-26-32-48(38-44(42)3)74(49-33-27-43(2)45(4)39-49)57-20-10-9-18-52(57)56-40-67-64(41-63(56)74)73(5,6)60-23-13-14-24-65(60)76(67)66-25-15-19-53-54-35-37-62-70(72(54)77-71(53)66)55-34-30-46-28-29-47-31-36-61(69(55)68(46)47)75(62)58-21-11-7-16-50(58)51-17-8-12-22-59(51)75/h7-41H,1-6H3.

What are the key properties of 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 984.26 g/mol, XLogP of 19.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-bis(3,4-dimethylphenyl)-14,14-dimethyl-21-spiro[4-oxaheptacyclo[17.5.2.02,14.03,11.05,10.016,25.022,26]hexacosa-1(25),2(14),3(11),5(10),6,8,12,16,18,20,22(26),23-dodecaene-15,9'-fluorene]-6-yl-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 153278235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).