24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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

C71H50N4O2 — CID 167090904

About 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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

24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 167090904) has the molecular formula C71H50N4O2 and a molecular weight of 991.21 g/mol. Its IUPAC name is 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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: 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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: 167090904
• Molecular Formula: C71H50N4O2
• Molecular Weight: 991.21 g/mol
• Exact Mass: 990.39
• IUPAC Name: 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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: C=C(CC)c1oc2c(N(c3ccccc3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(N(c6ccccc6)c6cccc8c6oc6c(CC)cccc68)ccc5n7c43)cccc2c1/C=C\C
• InChI: InChI=1S/C71H50N4O2/c1-5-19-52-54-30-17-32-62(70(54)76-68(52)42(4)6-2)72(44-21-10-8-11-22-44)46-34-36-60-56(38-46)48-25-15-27-50-58-41-65-59(40-64(58)74(60)66(48)50)51-28-16-26-49-57-39-47(35-37-61(57)75(65)67(49)51)73(45-23-12-9-13-24-45)63-33-18-31-55-53-29-14-20-43(7-3)69(53)77-71(55)63/h5,8-41H,4,6-7H2,1-3H3/b19-5-
• InChIKey: BVXXOPOZAWYDGB-IPKBDRFQSA-N
• XLogP: 20.59
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.21
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 167090904) is 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 C=C(CC)c1oc2c(N(c3ccccc3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(N(c6ccccc6)c6cccc8c6oc6c(CC)cccc68)ccc5n7c43)cccc2c1/C=C\C.

What is the InChIKey of 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 BVXXOPOZAWYDGB-IPKBDRFQSA-N. The full InChI is InChI=1S/C71H50N4O2/c1-5-19-52-54-30-17-32-62(70(54)76-68(52)42(4)6-2)72(44-21-10-8-11-22-44)46-34-36-60-56(38-46)48-25-15-27-50-58-41-65-59(40-64(58)74(60)66(48)50)51-28-16-26-49-57-39-47(35-37-61(57)75(65)67(49)51)73(45-23-12-9-13-24-45)63-33-18-31-55-53-29-14-20-43(7-3)69(53)77-71(55)63/h5,8-41H,4,6-7H2,1-3H3/b19-5-.

What are the key properties of 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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?

24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 991.21 g/mol, XLogP of 20.59, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-N-[2-but-1-en-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N-(6-ethyldibenzofuran-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 167090904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).