N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine

C79H47N3O2 — CID 139323633

About N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 139323633) has the molecular formula C79H47N3O2 and a molecular weight of 1070.26 g/mol. Its IUPAC name is N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 139323633
• Molecular Formula: C79H47N3O2
• Molecular Weight: 1070.26 g/mol
• Exact Mass: 1069.37
• IUPAC Name: N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine
• SMILES: c1ccc(C(c2ccc(-c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(-c6ccc(N(c7ccccc7)c7cccc9c7oc7ccccc79)cc6)cc5n8c43)cc2)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C79H47N3O2/c1-3-15-49(16-4-1)75(65-27-13-25-63-57-19-7-9-29-73(57)83-78(63)65)50-33-31-47(32-34-50)51-37-41-55-59-21-11-23-61-66-46-72-67(45-71(66)81(76(59)61)69(55)43-51)62-24-12-22-60-56-42-38-52(44-70(56)82(72)77(60)62)48-35-39-54(40-36-48)80(53-17-5-2-6-18-53)68-28-14-26-64-58-20-8-10-30-74(58)84-79(64)68/h1-46,75H
• InChIKey: ZLAWBKMQOCBZDZ-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 38.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.26
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 139323633) is N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(C(c2ccc(-c3ccc4c5cccc6c7cc8c(cc7n(c4c3)c56)c3cccc4c5ccc(-c6ccc(N(c7ccccc7)c7cccc9c7oc7ccccc79)cc6)cc5n8c43)cc2)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The InChIKey is ZLAWBKMQOCBZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H47N3O2/c1-3-15-49(16-4-1)75(65-27-13-25-63-57-19-7-9-29-73(57)83-78(63)65)50-33-31-47(32-34-50)51-37-41-55-59-21-11-23-61-66-46-72-67(45-71(66)81(76(59)61)69(55)43-51)62-24-12-22-60-56-42-38-52(44-70(56)82(72)77(60)62)48-35-39-54(40-36-48)80(53-17-5-2-6-18-53)68-28-14-26-64-58-20-8-10-30-74(58)84-79(64)68/h1-46,75H.

What are the key properties of N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1070.26 g/mol, XLogP of 21.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[23-[4-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2(19),3,6(11),7,9,12(32),13,15,17,21(26),22,24,27(31),28-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 139323633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).