9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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

C76H56N2O2 — CID 139323411

About 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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 (PubChem CID 139323411) has the molecular formula C76H56N2O2 and a molecular weight of 1029.30 g/mol. Its IUPAC name is 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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.

Molecular Properties

• Compound Name: 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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
• PubChem CID: 139323411
• Molecular Formula: C76H56N2O2
• Molecular Weight: 1029.30 g/mol
• Exact Mass: 1028.43
• IUPAC Name: 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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
• SMILES: CC(C)(C)c1cccc2c1oc1c(C(c3ccccc3)c3ccc4c(c3)c3cccc5c6cc7c(cc6n4c35)c3cccc4c5cc(C(c6ccccc6)c6cccc8c6oc6c(C(C)(C)C)cccc68)ccc5n7c43)cccc12
• InChI: InChI=1S/C76H56N2O2/c1-75(2,3)61-33-17-29-53-51-27-15-31-55(71(51)79-73(53)61)67(43-19-9-7-10-20-43)45-35-37-63-57(39-45)47-23-13-25-49-59-42-66-60(41-65(59)77(63)69(47)49)50-26-14-24-48-58-40-46(36-38-64(58)78(66)70(48)50)68(44-21-11-8-12-22-44)56-32-16-28-52-54-30-18-34-62(76(4,5)6)74(54)80-72(52)56/h7-42,67-68H,1-6H3
• InChIKey: ZFFIFVAMUKYIKG-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 35.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1029.30
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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?

The IUPAC name of 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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 (CID 139323411) is 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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.

What is the SMILES notation for 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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?

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

What is the InChIKey of 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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?

The InChIKey is ZFFIFVAMUKYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N2O2/c1-75(2,3)61-33-17-29-53-51-27-15-31-55(71(51)79-73(53)61)67(43-19-9-7-10-20-43)45-35-37-63-57(39-45)47-23-13-25-49-59-42-66-60(41-65(59)77(63)69(47)49)50-26-14-24-48-58-40-46(36-38-64(58)78(66)70(48)50)68(44-21-11-8-12-22-44)56-32-16-28-52-54-30-18-34-62(76(4,5)6)74(54)80-72(52)56/h7-42,67-68H,1-6H3.

What are the key properties of 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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 has a molecular weight of 1029.30 g/mol, XLogP of 20.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,24-bis[(6-tert-butyldibenzofuran-4-yl)-phenylmethyl]-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 is sourced from PubChem (CID 139323411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).