methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

C145H100O3 — CID 157402796

About methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran

methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (PubChem CID 157402796) has the molecular formula C145H100O3 and a molecular weight of 1890.39 g/mol. Its IUPAC name is methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

• Compound Name: methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
• PubChem CID: 157402796
• Molecular Formula: C145H100O3
• Molecular Weight: 1890.39 g/mol
• Exact Mass: 1888.77
• IUPAC Name: methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
• SMILES: C.C.C.c1ccc(-c2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(oc6ccccc65)c4-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)oc2cc(-c4c5ccccc5c(-c5ccc6cccc(-c7ccccc7)c6c5)c5ccccc45)ccc23)cc1
• InChI: InChI=1S/2C48H30O.C46H28O.3CH4/c1-3-12-31(13-4-1)34-24-26-38-39-27-25-36(30-46(39)49-45(38)29-34)48-42-19-9-7-17-40(42)47(41-18-8-10-20-43(41)48)35-23-22-33-16-11-21-37(44(33)28-35)32-14-5-2-6-15-32;1-3-15-31(16-4-1)33-27-28-41(35-20-8-7-19-34(33)35)46-37-22-9-11-24-39(37)47(40-25-12-10-23-38(40)46)43-30-29-42-36-21-13-14-26-44(36)49-48(42)45(43)32-17-5-2-6-18-32;1-2-14-29(15-3-1)43-40(27-26-39-34-20-12-13-25-42(34)47-46(39)43)44-35-21-8-10-23-37(35)45(38-24-11-9-22-36(38)44)41-28-30-16-4-5-17-31(30)32-18-6-7-19-33(32)41;;;/h2*1-30H;1-28H;3*1H4
• InChIKey: BNJFBEVXWJLACL-UHFFFAOYSA-N
• XLogP: 42.54
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1890.39
LogP ≤ 5	42.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

The IUPAC name of methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran (CID 157402796) is methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran.

What is the SMILES notation for methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

The canonical SMILES for methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is C.C.C.c1ccc(-c2c(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc3c2oc2ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(oc6ccccc65)c4-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc3c(c2)oc2cc(-c4c5ccccc5c(-c5ccc6cccc(-c7ccccc7)c6c5)c5ccccc45)ccc23)cc1.

What is the InChIKey of methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

The InChIKey is BNJFBEVXWJLACL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30O.C46H28O.3CH4/c1-3-12-31(13-4-1)34-24-26-38-39-27-25-36(30-46(39)49-45(38)29-34)48-42-19-9-7-17-40(42)47(41-18-8-10-20-43(41)48)35-23-22-33-16-11-21-37(44(33)28-35)32-14-5-2-6-15-32;1-3-15-31(16-4-1)33-27-28-41(35-20-8-7-19-34(33)35)46-37-22-9-11-24-39(37)47(40-25-12-10-23-38(40)46)43-30-29-42-36-21-13-14-26-44(36)49-48(42)45(43)32-17-5-2-6-18-32;1-2-14-29(15-3-1)43-40(27-26-39-34-20-12-13-25-42(34)47-46(39)43)44-35-21-8-10-23-37(35)45(38-24-11-9-22-36(38)44)41-28-30-16-4-5-17-31(30)32-18-6-7-19-33(32)41;;;/h2*1-30H;1-28H;3*1H4.

What are the key properties of methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran?

methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 1890.39 g/mol, XLogP of 42.54, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methane;3-(10-phenanthren-9-ylanthracen-9-yl)-4-phenyldibenzofuran;3-phenyl-7-[10-(8-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran;4-phenyl-3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 157402796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).