5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine

C84H53N3O3 — CID 146209834

About 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine

5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine (PubChem CID 146209834) has the molecular formula C84H53N3O3 and a molecular weight of 1152.37 g/mol. Its IUPAC name is 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine.

Molecular Properties

• Compound Name: 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine
• PubChem CID: 146209834
• Molecular Formula: C84H53N3O3
• Molecular Weight: 1152.37 g/mol
• Exact Mass: 1151.41
• IUPAC Name: 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)cc3c(c21)-c1ccc(N(c2ccc4ccccc4c2)c2cccc4c2oc2ccccc24)cc1C31c2ccccc2N2c3ccccc3Oc3cccc1c32
• InChI: InChI=1S/C84H53N3O3/c1-83(2)63-29-10-7-26-61(63)78-72(86(55-43-41-51-21-4-6-23-53(51)47-55)71-35-18-28-60-58-25-9-15-37-74(58)90-82(60)71)49-67-77(79(78)83)62-45-44-56(85(54-42-40-50-20-3-5-22-52(50)46-54)70-34-17-27-59-57-24-8-14-36-73(57)89-81(59)70)48-66(62)84(67)64-30-11-12-32-68(64)87-69-33-13-16-38-75(69)88-76-39-19-31-65(84)80(76)87/h3-49H,1-2H3
• InChIKey: UVZZXRJAURWUMJ-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 45.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1152.37
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine?

The IUPAC name of 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine (CID 146209834) is 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine.

What is the SMILES notation for 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine?

The canonical SMILES for 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine is CC1(C)c2ccccc2-c2c(N(c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)cc3c(c21)-c1ccc(N(c2ccc4ccccc4c2)c2cccc4c2oc2ccccc24)cc1C31c2ccccc2N2c3ccccc3Oc3cccc1c32.

What is the InChIKey of 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine?

The InChIKey is UVZZXRJAURWUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H53N3O3/c1-83(2)63-29-10-7-26-61(63)78-72(86(55-43-41-51-21-4-6-23-53(51)47-55)71-35-18-28-60-58-25-9-15-37-74(58)90-82(60)71)49-67-77(79(78)83)62-45-44-56(85(54-42-40-50-20-3-5-22-52(50)46-54)70-34-17-27-59-57-24-8-14-36-73(57)89-81(59)70)48-66(62)84(67)64-30-11-12-32-68(64)87-69-33-13-16-38-75(69)88-76-39-19-31-65(84)80(76)87/h3-49H,1-2H3.

What are the key properties of 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine?

5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine has a molecular weight of 1152.37 g/mol, XLogP of 23.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N',9-N'-di(dibenzofuran-4-yl)-12',12'-dimethyl-5-N',9-N'-dinaphthalen-2-ylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,7'-indeno[1,2-a]fluorene]-5',9'-diamine is sourced from PubChem (CID 146209834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).