N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine

C118H91N3O3 — CID 158759545

About N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine

N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine (PubChem CID 158759545) has the molecular formula C118H91N3O3 and a molecular weight of 1599.04 g/mol. Its IUPAC name is N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine.

Molecular Properties

• Compound Name: N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
• PubChem CID: 158759545
• Molecular Formula: C118H91N3O3
• Molecular Weight: 1599.04 g/mol
• Exact Mass: 1597.71
• IUPAC Name: N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine
• SMILES: Cc1cc(C)cc(N(c2ccc3ccc4cccc5ccc2c3c45)c2cccc3c2oc2ccccc23)c1.Cc1ccc2ccc3c(C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.c1ccc(N(c2cc(C3CCCCC3)c3ccc4ccc(C5CCCCC5)c5ccc2c3c45)c2cccc3c2oc2ccccc23)cc1
• InChI: InChI=1S/C46H41NO.2C36H25NO/c1-4-13-30(14-5-1)34-25-23-32-24-26-37-40(31-15-6-2-7-16-31)29-42(39-28-27-36(34)44(32)45(37)39)47(33-17-8-3-9-18-33)41-21-12-20-38-35-19-10-11-22-43(35)48-46(38)41;1-22-19-23(2)21-27(20-22)37(32-11-6-10-29-28-9-3-4-12-33(28)38-36(29)32)31-18-16-26-14-13-24-7-5-8-25-15-17-30(31)35(26)34(24)25;1-22-15-16-24-17-18-27-23(2)21-32(30-20-19-26(22)34(24)35(27)30)37(25-9-4-3-5-10-25)31-13-8-12-29-28-11-6-7-14-33(28)38-36(29)31/h3,8-12,17-31H,1-2,4-7,13-16H2;2*3-21H,1-2H3
• InChIKey: IOMISOYBZKIOMS-UHFFFAOYSA-N
• XLogP: 35.19
• TPSA: 49.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1599.04
LogP ≤ 5	35.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine?

The IUPAC name of N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine (CID 158759545) is N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine.

What is the SMILES notation for N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine?

The canonical SMILES for N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine is Cc1cc(C)cc(N(c2ccc3ccc4cccc5ccc2c3c45)c2cccc3c2oc2ccccc23)c1.Cc1ccc2ccc3c(C)cc(N(c4ccccc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.c1ccc(N(c2cc(C3CCCCC3)c3ccc4ccc(C5CCCCC5)c5ccc2c3c45)c2cccc3c2oc2ccccc23)cc1.

What is the InChIKey of N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine?

The InChIKey is IOMISOYBZKIOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41NO.2C36H25NO/c1-4-13-30(14-5-1)34-25-23-32-24-26-37-40(31-15-6-2-7-16-31)29-42(39-28-27-36(34)44(32)45(37)39)47(33-17-8-3-9-18-33)41-21-12-20-38-35-19-10-11-22-43(35)48-46(38)41;1-22-19-23(2)21-27(20-22)37(32-11-6-10-29-28-9-3-4-12-33(28)38-36(29)32)31-18-16-26-14-13-24-7-5-8-25-15-17-30(31)35(26)34(24)25;1-22-15-16-24-17-18-27-23(2)21-32(30-20-19-26(22)34(24)35(27)30)37(25-9-4-3-5-10-25)31-13-8-12-29-28-11-6-7-14-33(28)38-36(29)31/h3,8-12,17-31H,1-2,4-7,13-16H2;2*3-21H,1-2H3.

What are the key properties of N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine?

N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine has a molecular weight of 1599.04 g/mol, XLogP of 35.19, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,8-dicyclohexylpyren-1-yl)-N-phenyldibenzofuran-4-amine;N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine;N-(3,8-dimethylpyren-1-yl)-N-phenyldibenzofuran-4-amine is sourced from PubChem (CID 158759545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).