methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine

C150H123N3O3 — CID 163873104

About methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine

methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine (PubChem CID 163873104) has the molecular formula C150H123N3O3 and a molecular weight of 2015.65 g/mol. Its IUPAC name is methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine.

Molecular Properties

• Compound Name: methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
• PubChem CID: 163873104
• Molecular Formula: C150H123N3O3
• Molecular Weight: 2015.65 g/mol
• Exact Mass: 2013.96
• IUPAC Name: methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
• SMILES: C.C.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3
• InChI: InChI=1S/2C50H39NO.C48H37NO.2CH4/c1-2-10-40-33(8-1)9-7-13-41(40)34-16-18-37(19-17-34)51(39-20-22-44-43-12-4-6-15-48(43)52-49(44)30-39)38-21-23-47-45(29-38)42-11-3-5-14-46(42)50(47)35-25-31-24-32(27-35)28-36(50)26-31;1-2-8-35-28-36(14-13-33(35)7-1)34-15-17-39(18-16-34)51(41-19-21-44-43-10-4-6-12-48(43)52-49(44)30-41)40-20-22-47-45(29-40)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-2-8-38-31(7-1)13-14-32-26-35(15-18-39(32)38)49(37-16-19-42-41-10-4-6-12-46(41)50-47(42)28-37)36-17-20-45-43(27-36)40-9-3-5-11-44(40)48(45)33-22-29-21-30(24-33)25-34(48)23-29;;/h1-23,29-32,35-36H,24-28H2;1-22,28-32,37-38H,23-27H2;1-20,26-30,33-34H,21-25H2;2*1H4
• InChIKey: PMNXQXNMXGSBCH-UHFFFAOYSA-N
• XLogP: 41.55
• TPSA: 49.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2015.65
LogP ≤ 5	41.55
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 methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?

The IUPAC name of methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine (CID 163873104) is methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine.

What is the SMILES notation for methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?

The canonical SMILES for methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine is C.C.c1ccc2c(c1)-c1cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1cc(N(c3ccc4c(ccc5ccccc54)c3)c3ccc4c(c3)oc3ccccc34)ccc1C21C2CC3CC(C2)CC1C3.

What is the InChIKey of methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?

The InChIKey is PMNXQXNMXGSBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H39NO.C48H37NO.2CH4/c1-2-10-40-33(8-1)9-7-13-41(40)34-16-18-37(19-17-34)51(39-20-22-44-43-12-4-6-15-48(43)52-49(44)30-39)38-21-23-47-45(29-38)42-11-3-5-14-46(42)50(47)35-25-31-24-32(27-35)28-36(50)26-31;1-2-8-35-28-36(14-13-33(35)7-1)34-15-17-39(18-16-34)51(41-19-21-44-43-10-4-6-12-48(43)52-49(44)30-41)40-20-22-47-45(29-40)42-9-3-5-11-46(42)50(47)37-24-31-23-32(26-37)27-38(50)25-31;1-2-8-38-31(7-1)13-14-32-26-35(15-18-39(32)38)49(37-16-19-42-41-10-4-6-12-46(41)50-47(42)28-37)36-17-20-45-43(27-36)40-9-3-5-11-44(40)48(45)33-22-29-21-30(24-33)25-34(48)23-29;;/h1-23,29-32,35-36H,24-28H2;1-22,28-32,37-38H,23-27H2;1-20,26-30,33-34H,21-25H2;2*1H4.

What are the key properties of methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine?

methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine has a molecular weight of 2015.65 g/mol, XLogP of 41.55, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methane;N-(4-naphthalen-1-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-(4-naphthalen-2-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-phenanthren-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine is sourced from PubChem (CID 163873104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).