9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine

C74H54N4O2 — CID 138745152

About 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine

9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine (PubChem CID 138745152) has the molecular formula C74H54N4O2 and a molecular weight of 1031.27 g/mol. Its IUPAC name is 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine.

Molecular Properties

• Compound Name: 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine
• PubChem CID: 138745152
• Molecular Formula: C74H54N4O2
• Molecular Weight: 1031.27 g/mol
• Exact Mass: 1030.42
• IUPAC Name: 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine
• SMILES: CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(N(c6ccccc6)c6cccc8c6oc6c(C(C)(C)C)cccc68)ccc5n7c43)cccc12
• InChI: InChI=1S/C74H54N4O2/c1-73(2,3)59-31-15-27-51-53-29-17-33-63(71(53)79-69(51)59)75(43-19-9-7-10-20-43)45-35-37-61-55(39-45)47-23-13-25-49-57-42-66-58(41-65(57)77(61)67(47)49)50-26-14-24-48-56-40-46(36-38-62(56)78(66)68(48)50)76(44-21-11-8-12-22-44)64-34-18-30-54-52-28-16-32-60(74(4,5)6)70(52)80-72(54)64/h7-42H,1-6H3
• InChIKey: DNMOTXKCBVVWCR-UHFFFAOYSA-N
• XLogP: 21.32
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1031.27
LogP ≤ 5	21.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine?

The IUPAC name of 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine (CID 138745152) is 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine.

What is the SMILES notation for 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine?

The canonical SMILES for 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(N(c6ccccc6)c6cccc8c6oc6c(C(C)(C)C)cccc68)ccc5n7c43)cccc12.

What is the InChIKey of 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine?

The InChIKey is DNMOTXKCBVVWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H54N4O2/c1-73(2,3)59-31-15-27-51-53-29-17-33-63(71(53)79-69(51)59)75(43-19-9-7-10-20-43)45-35-37-61-55(39-45)47-23-13-25-49-57-42-66-58(41-65(57)77(61)67(47)49)50-26-14-24-48-56-40-46(36-38-62(56)78(66)68(48)50)76(44-21-11-8-12-22-44)64-34-18-30-54-52-28-16-32-60(74(4,5)6)70(52)80-72(54)64/h7-42H,1-6H3.

What are the key properties of 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine?

9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine has a molecular weight of 1031.27 g/mol, XLogP of 21.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N,24-N-bis(6-tert-butyldibenzofuran-4-yl)-9-N,24-N-diphenyl-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-9,24-diamine is sourced from PubChem (CID 138745152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).