N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine

C75H50N2O2 — CID 121431245

About N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine

N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine (PubChem CID 121431245) has the molecular formula C75H50N2O2 and a molecular weight of 1011.24 g/mol. Its IUPAC name is N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine
• PubChem CID: 121431245
• Molecular Formula: C75H50N2O2
• Molecular Weight: 1011.24 g/mol
• Exact Mass: 1010.39
• IUPAC Name: N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine
• SMILES: CC1(C)c2c(ccc3cc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)ccc23)-c2c1c1ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)cc1c1ccccc21
• InChI: InChI=1S/C75H50N2O2/c1-75(2)71-56-42-35-49(47-31-38-54(39-32-47)76(52-17-5-3-6-18-52)66-27-15-25-62-58-22-11-13-29-68(58)78-73(62)66)45-51(56)37-44-64(71)70-60-24-10-9-21-57(60)65-46-50(36-43-61(65)72(70)75)48-33-40-55(41-34-48)77(53-19-7-4-8-20-53)67-28-16-26-63-59-23-12-14-30-69(59)79-74(63)67/h3-46H,1-2H3
• InChIKey: PMSGLERXUMTTDZ-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.24
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine (CID 121431245) is N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine is CC1(C)c2c(ccc3cc(-c4ccc(N(c5ccccc5)c5cccc6c5oc5ccccc56)cc4)ccc23)-c2c1c1ccc(-c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3)cc1c1ccccc21.

What is the InChIKey of N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine?

The InChIKey is PMSGLERXUMTTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H50N2O2/c1-75(2)71-56-42-35-49(47-31-38-54(39-32-47)76(52-17-5-3-6-18-52)66-27-15-25-62-58-22-11-13-29-68(58)78-73(62)66)45-51(56)37-44-64(71)70-60-24-10-9-21-57(60)65-46-50(36-43-61(65)72(70)75)48-33-40-55(41-34-48)77(53-19-7-4-8-20-53)67-28-16-26-63-59-23-12-14-30-69(59)79-74(63)67/h3-46H,1-2H3.

What are the key properties of N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine?

N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine has a molecular weight of 1011.24 g/mol, XLogP of 21.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[4-(N-dibenzofuran-4-ylanilino)phenyl]-25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaenyl]phenyl]-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 121431245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).