N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine

C155H109N3O4 — CID 158598919

About N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine

N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine (PubChem CID 158598919) has the molecular formula C155H109N3O4 and a molecular weight of 2082.62 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine
• PubChem CID: 158598919
• Molecular Formula: C155H109N3O4
• Molecular Weight: 2082.62 g/mol
• Exact Mass: 2080.87
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2ccccc2)ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)c13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2ccccc2)ccc(N(c2ccccc2)c2cc4ccccc4c4ccccc24)c13.[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c2oc2cc4c(cc23)-c2ccccc2C4(C)C)c([2H])c1[2H]
• InChI: InChI=1S/C57H39NO2.C51H37NO.C47H33NO/c1-57(2)49-22-11-9-18-44(49)47-34-48-53(35-50(47)57)60-56-43(38-16-7-4-8-17-38)32-33-51(54(48)56)58(40-28-24-37(25-29-40)36-14-5-3-6-15-36)41-30-26-39(27-31-41)42-20-13-21-46-45-19-10-12-23-52(45)59-55(42)46;1-51(2)45-21-13-12-20-42(45)43-32-44-48(33-46(43)51)53-50-41(38-16-8-4-9-17-38)30-31-47(49(44)50)52(39-18-10-5-11-19-39)40-28-26-37(27-29-40)36-24-22-35(23-25-36)34-14-6-3-7-15-34;1-47(2)40-24-14-13-22-36(40)38-28-39-44(29-41(38)47)49-46-34(30-15-5-3-6-16-30)25-26-42(45(39)46)48(32-18-7-4-8-19-32)43-27-31-17-9-10-20-33(31)35-21-11-12-23-37(35)43/h3-35H,1-2H3;3-33H,1-2H3;3-29H,1-2H3/i;4D,8D,9D,16D,17D
• InChIKey: HVJORPBAIAQIHM-AJVSSAHKSA-N
• XLogP: 43.96
• TPSA: 62.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2082.62
LogP ≤ 5	43.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine (CID 158598919) is N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine is CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2ccccc2)ccc(N(c2ccc(-c4ccccc4)cc2)c2ccc(-c4cccc5c4oc4ccccc45)cc2)c13.CC1(C)c2ccccc2-c2cc3c(cc21)oc1c(-c2ccccc2)ccc(N(c2ccccc2)c2cc4ccccc4c4ccccc24)c13.[2H]c1c([2H])c([2H])c(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3c2oc2cc4c(cc23)-c2ccccc2C4(C)C)c([2H])c1[2H].

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine?

The InChIKey is HVJORPBAIAQIHM-AJVSSAHKSA-N. The full InChI is InChI=1S/C57H39NO2.C51H37NO.C47H33NO/c1-57(2)49-22-11-9-18-44(49)47-34-48-53(35-50(47)57)60-56-43(38-16-7-4-8-17-38)32-33-51(54(48)56)58(40-28-24-37(25-29-40)36-14-5-3-6-15-36)41-30-26-39(27-31-41)42-20-13-21-46-45-19-10-12-23-52(45)59-55(42)46;1-51(2)45-21-13-12-20-42(45)43-32-44-48(33-46(43)51)53-50-41(38-16-8-4-9-17-38)30-31-47(49(44)50)52(39-18-10-5-11-19-39)40-28-26-37(27-29-40)36-24-22-35(23-25-36)34-14-6-3-7-15-34;1-47(2)40-24-14-13-22-36(40)38-28-39-44(29-41(38)47)49-46-34(30-15-5-3-6-16-30)25-26-42(45(39)46)48(32-18-7-4-8-19-32)43-27-31-17-9-10-20-33(31)35-21-11-12-23-37(35)43/h3-35H,1-2H3;3-33H,1-2H3;3-29H,1-2H3/i;4D,8D,9D,16D,17D;.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine?

N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine has a molecular weight of 2082.62 g/mol, XLogP of 43.96, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-4-phenyl-N-(4-phenylphenyl)fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-4-(2,3,4,5,6-pentadeuteriophenyl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-1-amine;7,7-dimethyl-N-phenanthren-9-yl-N,4-diphenylfluoreno[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 158598919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).