N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine

C91H55N3O2 — CID 146640460

About N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine

N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 146640460) has the molecular formula C91H55N3O2 and a molecular weight of 1222.46 g/mol. Its IUPAC name is N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 146640460
• Molecular Formula: C91H55N3O2
• Molecular Weight: 1222.46 g/mol
• Exact Mass: 1221.43
• IUPAC Name: N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine
• SMILES: c1ccc(-c2c3c4cccc5c6ccc(-c7cccc(C(c8ccccc8)c8cccc9c8oc8ccccc89)c7)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(-c9cccc(N(c%10ccccc%10)c%10cccc%11c%10oc%10ccccc%10%11)c9)cc8n(c23)c76)c54)cc1
• InChI: InChI=1S/C91H55N3O2/c1-5-23-55(24-6-1)81(75-43-21-39-71-67-35-13-15-45-79(67)95-90(71)75)62-31-17-29-58(51-62)60-47-49-65-69-37-19-41-73-84-83(57-27-9-3-10-28-57)89-85(82(56-25-7-2-8-26-56)88(84)93(86(69)73)77(65)53-60)74-42-20-38-70-66-50-48-61(54-78(66)94(89)87(70)74)59-30-18-34-64(52-59)92(63-32-11-4-12-33-63)76-44-22-40-72-68-36-14-16-46-80(68)96-91(72)76/h1-54,81H
• InChIKey: KDOJDBWQJSPZPE-UHFFFAOYSA-N
• XLogP: 25.10
• TPSA: 38.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1222.46
LogP ≤ 5	25.10
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-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine (CID 146640460) is N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine is c1ccc(-c2c3c4cccc5c6ccc(-c7cccc(C(c8ccccc8)c8cccc9c8oc8ccccc89)c7)cc6n(c3c(-c3ccccc3)c3c6cccc7c8ccc(-c9cccc(N(c%10ccccc%10)c%10cccc%11c%10oc%10ccccc%10%11)c9)cc8n(c23)c76)c54)cc1.

What is the InChIKey of N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

The InChIKey is KDOJDBWQJSPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H55N3O2/c1-5-23-55(24-6-1)81(75-43-21-39-71-67-35-13-15-45-79(67)95-90(71)75)62-31-17-29-58(51-62)60-47-49-65-69-37-19-41-73-84-83(57-27-9-3-10-28-57)89-85(82(56-25-7-2-8-26-56)88(84)93(86(69)73)77(65)53-60)74-42-20-38-70-66-50-48-61(54-78(66)94(89)87(70)74)59-30-18-34-64(52-59)92(63-32-11-4-12-33-63)76-44-22-40-72-68-36-14-16-46-80(68)96-91(72)76/h1-54,81H.

What are the key properties of N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine?

N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1222.46 g/mol, XLogP of 25.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[23-[3-[dibenzofuran-4-yl(phenyl)methyl]phenyl]-3,18-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-pentadecaen-8-yl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 146640460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).