8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C84H58N4O2 — CID 138745228

About 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 138745228) has the molecular formula C84H58N4O2 and a molecular weight of 1155.41 g/mol. Its IUPAC name is 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 138745228
• Molecular Formula: C84H58N4O2
• Molecular Weight: 1155.41 g/mol
• Exact Mass: 1154.46
• IUPAC Name: 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: CC(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)C)cccc67)cc5n8c43)cccc12
• InChI: InChI=1S/C84H58N4O2/c1-49(2)57-31-17-35-63-65-37-21-41-69(83(65)89-81(57)63)85(53-27-13-7-14-28-53)55-43-45-59-61-33-19-39-67-75-74(52-25-11-6-12-26-52)80-76(73(51-23-9-5-10-24-51)79(75)87(77(61)67)71(59)47-55)68-40-20-34-62-60-46-44-56(48-72(60)88(80)78(62)68)86(54-29-15-8-16-30-54)70-42-22-38-66-64-36-18-32-58(50(3)4)82(64)90-84(66)70/h5-50H,1-4H3
• InChIKey: IIPCOLRZVCPTSY-UHFFFAOYSA-N
• XLogP: 24.31
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.41
LogP ≤ 5	24.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 138745228) is 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is CC(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c5cccc6c7c(-c8ccccc8)c8c(c(-c9ccccc9)c7n(c4c3)c56)c3cccc4c5ccc(N(c6ccccc6)c6cccc7c6oc6c(C(C)C)cccc67)cc5n8c43)cccc12.

What is the InChIKey of 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is IIPCOLRZVCPTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N4O2/c1-49(2)57-31-17-35-63-65-37-21-41-69(83(65)89-81(57)63)85(53-27-13-7-14-28-53)55-43-45-59-61-33-19-39-67-75-74(52-25-11-6-12-26-52)80-76(73(51-23-9-5-10-24-51)79(75)87(77(61)67)71(59)47-55)68-40-20-34-62-60-46-44-56(48-72(60)88(80)78(62)68)86(54-29-15-8-16-30-54)70-42-22-38-66-64-36-18-32-58(50(3)4)82(64)90-84(66)70/h5-50H,1-4H3.

What are the key properties of 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 1155.41 g/mol, XLogP of 24.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,23-N,3,18-tetraphenyl-8-N,23-N-bis(6-propan-2-yldibenzofuran-4-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 138745228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).