N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine

C132H81N9OS — CID 157249573

About N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine

N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine (PubChem CID 157249573) has the molecular formula C132H81N9OS and a molecular weight of 1841.23 g/mol. Its IUPAC name is N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine
• PubChem CID: 157249573
• Molecular Formula: C132H81N9OS
• Molecular Weight: 1841.23 g/mol
• Exact Mass: 1839.63
• IUPAC Name: N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccccc3)c3ccc(-c4ccc5ccc6cc7cccnc7c7ccc4c5c67)cc3)n2)cc1.c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)sc2ccccc23)cc1
• InChI: InChI=1S/C46H29N5.C43H26N2O.C43H26N2S/c1-4-11-32(12-5-1)44-48-45(33-13-6-2-7-14-33)50-46(49-44)51(36-16-8-3-9-17-36)37-23-20-30(21-24-37)38-25-22-31-18-19-34-29-35-15-10-28-47-43(35)40-27-26-39(38)41(31)42(34)40;2*1-2-8-31(9-3-1)45(33-19-21-36-35-10-4-5-11-39(35)46-40(36)26-33)32-17-14-27(15-18-32)34-20-16-28-12-13-29-25-30-7-6-24-44-43(30)38-23-22-37(34)41(28)42(29)38/h1-29H;2*1-26H
• InChIKey: AWEKIJNSSSTZHT-UHFFFAOYSA-N
• XLogP: 36.59
• TPSA: 100.20 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1841.23
LogP ≤ 5	36.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine?

The IUPAC name of N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine (CID 157249573) is N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine.

What is the SMILES notation for N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine?

The canonical SMILES for N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine is c1ccc(-c2nc(-c3ccccc3)nc(N(c3ccccc3)c3ccc(-c4ccc5ccc6cc7cccnc7c7ccc4c5c67)cc3)n2)cc1.c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)oc2ccccc23)cc1.c1ccc(N(c2ccc(-c3ccc4ccc5cc6cccnc6c6ccc3c4c56)cc2)c2ccc3c(c2)sc2ccccc23)cc1.

What is the InChIKey of N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine?

The InChIKey is AWEKIJNSSSTZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N5.C43H26N2O.C43H26N2S/c1-4-11-32(12-5-1)44-48-45(33-13-6-2-7-14-33)50-46(49-44)51(36-16-8-3-9-17-36)37-23-20-30(21-24-37)38-25-22-31-18-19-34-29-35-15-10-28-47-43(35)40-27-26-39(38)41(31)42(34)40;2*1-2-8-31(9-3-1)45(33-19-21-36-35-10-4-5-11-39(35)46-40(36)26-33)32-17-14-27(15-18-32)34-20-16-28-12-13-29-25-30-7-6-24-44-43(30)38-23-22-37(34)41(28)42(29)38/h1-29H;2*1-26H.

What are the key properties of N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine?

N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 1841.23 g/mol, XLogP of 36.59, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzofuran-3-amine;N-phenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)dibenzothiophen-3-amine;N,4,6-triphenyl-N-(4-pyreno[1,2-b]pyridin-1-ylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 157249573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).