9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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

C69H46N4O2 — CID 166957480

About 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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 166957480) has the molecular formula C69H46N4O2 and a molecular weight of 963.15 g/mol. Its IUPAC name is 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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: 166957480
• Molecular Formula: C69H46N4O2
• Molecular Weight: 963.15 g/mol
• Exact Mass: 962.36
• IUPAC Name: 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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=Cc1oc2c(N(c3cccc(C)c3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(N(c6cccc(C)c6)c6cccc8c6oc6ccccc68)ccc5n7c43)cccc2c1/C=C\C
• InChI: InChI=1S/C69H46N4O2/c1-5-15-46-52-25-13-27-60(68(52)74-64(46)6-2)70(42-18-9-16-40(3)34-42)44-30-32-58-54(36-44)48-21-11-23-50-56-39-63-57(38-62(56)72(58)66(48)50)51-24-12-22-49-55-37-45(31-33-59(55)73(63)67(49)51)71(43-19-10-17-41(4)35-43)61-28-14-26-53-47-20-7-8-29-65(47)75-69(53)61/h5-39H,2H2,1,3-4H3/b15-5-
• InChIKey: UHRLWLZTITVRMM-WCSRMQSCSA-N
• XLogP: 19.86
• TPSA: 41.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.15
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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 166957480) is 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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=Cc1oc2c(N(c3cccc(C)c3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(N(c6cccc(C)c6)c6cccc8c6oc6ccccc68)ccc5n7c43)cccc2c1/C=C\C.

What is the InChIKey of 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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 UHRLWLZTITVRMM-WCSRMQSCSA-N. The full InChI is InChI=1S/C69H46N4O2/c1-5-15-46-52-25-13-27-60(68(52)74-64(46)6-2)70(42-18-9-16-40(3)34-42)44-30-32-58-54(36-44)48-21-11-23-50-56-39-63-57(38-62(56)72(58)66(48)50)51-24-12-22-49-55-37-45(31-33-59(55)73(63)67(49)51)71(43-19-10-17-41(4)35-43)61-28-14-26-53-47-20-7-8-29-65(47)75-69(53)61/h5-39H,2H2,1,3-4H3/b15-5-.

What are the key properties of 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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 963.15 g/mol, XLogP of 19.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N-dibenzofuran-4-yl-24-N-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]-9-N,24-N-bis(3-methylphenyl)-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 166957480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).