2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol

C84H78N2O2 — CID 129133488

About 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol

2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol (PubChem CID 129133488) has the molecular formula C84H78N2O2 and a molecular weight of 1147.56 g/mol. Its IUPAC name is 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol.

Molecular Properties

• Compound Name: 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
• PubChem CID: 129133488
• Molecular Formula: C84H78N2O2
• Molecular Weight: 1147.56 g/mol
• Exact Mass: 1146.61
• IUPAC Name: 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol
• SMILES: Cc1cccc(C)c1N(c1cccc(-c2cccc(-c3ccccc3C(C)C)c2)c1O)c1cc(C2CCCC2)c2ccc3c(N(c4c(C)cccc4C)c4cccc5c4oc4c(-c6ccccc6C(C)C)cccc45)cc(C4CCCC4)c4ccc1c2c43
• InChI: InChI=1S/C84H78N2O2/c1-50(2)60-33-13-15-35-62(60)58-31-19-32-59(47-58)63-37-21-41-74(82(63)87)85(80-52(5)23-17-24-53(80)6)76-48-72(56-27-9-10-28-56)65-44-46-71-77(49-73(57-29-11-12-30-57)66-43-45-70(76)78(65)79(66)71)86(81-54(7)25-18-26-55(81)8)75-42-22-40-69-68-39-20-38-67(83(68)88-84(69)75)64-36-16-14-34-61(64)51(3)4/h13-26,31-51,56-57,87H,9-12,27-30H2,1-8H3
• InChIKey: BVEAXELKYNHJHS-UHFFFAOYSA-N
• XLogP: 24.93
• TPSA: 39.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1147.56
LogP ≤ 5	24.93
H-Bond Donors ≤ 5	1
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 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol?

The IUPAC name of 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol (CID 129133488) is 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol.

What is the SMILES notation for 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol?

The canonical SMILES for 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol is Cc1cccc(C)c1N(c1cccc(-c2cccc(-c3ccccc3C(C)C)c2)c1O)c1cc(C2CCCC2)c2ccc3c(N(c4c(C)cccc4C)c4cccc5c4oc4c(-c6ccccc6C(C)C)cccc45)cc(C4CCCC4)c4ccc1c2c43.

What is the InChIKey of 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol?

The InChIKey is BVEAXELKYNHJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H78N2O2/c1-50(2)60-33-13-15-35-62(60)58-31-19-32-59(47-58)63-37-21-41-74(82(63)87)85(80-52(5)23-17-24-53(80)6)76-48-72(56-27-9-10-28-56)65-44-46-71-77(49-73(57-29-11-12-30-57)66-43-45-70(76)78(65)79(66)71)86(81-54(7)25-18-26-55(81)8)75-42-22-40-69-68-39-20-38-67(83(68)88-84(69)75)64-36-16-14-34-61(64)51(3)4/h13-26,31-51,56-57,87H,9-12,27-30H2,1-8H3.

What are the key properties of 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol?

2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol has a molecular weight of 1147.56 g/mol, XLogP of 24.93, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(N-[3,8-dicyclopentyl-6-(2,6-dimethyl-N-[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]anilino)pyren-1-yl]-2,6-dimethylanilino)-6-[3-(2-propan-2-ylphenyl)phenyl]phenol is sourced from PubChem (CID 129133488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).