1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane

C142H100N6 — CID 158744095

About 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane

1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane (PubChem CID 158744095) has the molecular formula C142H100N6 and a molecular weight of 1890.40 g/mol. Its IUPAC name is 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane.

Molecular Properties

• Compound Name: 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane
• PubChem CID: 158744095
• Molecular Formula: C142H100N6
• Molecular Weight: 1890.40 g/mol
• Exact Mass: 1888.80
• IUPAC Name: 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane
• SMILES: C.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)cc5-c5ccccc5)c5cc6ccccc6cc5cc34)c(-c3ccccc3)c2)cc1
• InChI: InChI=1S/C54H36.C46H30N4.C41H30N2.CH4/c1-5-16-37(17-6-1)43-28-30-47(50(33-43)39-20-9-3-10-21-39)46-26-15-27-48-53(46)36-45-32-41-24-13-14-25-42(41)35-52(45)54(48)49-31-29-44(38-18-7-2-8-19-38)34-51(49)40-22-11-4-12-23-40;1-3-15-31(16-4-1)40-30-41(48-46(47-40)32-17-5-2-6-18-32)33-27-34(49-42-23-11-7-19-36(42)37-20-8-12-24-43(37)49)29-35(28-33)50-44-25-13-9-21-38(44)39-22-10-14-26-45(39)50;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;/h1-36H;1-30H;3-27H,2H2,1H3;1H4
• InChIKey: IMQXSDCHUQMKCJ-UHFFFAOYSA-N
• XLogP: 38.35
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1890.40
LogP ≤ 5	38.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane?

The IUPAC name of 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane (CID 158744095) is 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane.

What is the SMILES notation for 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane?

The canonical SMILES for 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane is C.CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3cccc4c(-c5ccc(-c6ccccc6)cc5-c5ccccc5)c5cc6ccccc6cc5cc34)c(-c3ccccc3)c2)cc1.

What is the InChIKey of 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane?

The InChIKey is IMQXSDCHUQMKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36.C46H30N4.C41H30N2.CH4/c1-5-16-37(17-6-1)43-28-30-47(50(33-43)39-20-9-3-10-21-39)46-26-15-27-48-53(46)36-45-32-41-24-13-14-25-42(41)35-52(45)54(48)49-31-29-44(38-18-7-2-8-19-38)34-51(49)40-22-11-4-12-23-40;1-3-15-31(16-4-1)40-30-41(48-46(47-40)32-17-5-2-6-18-32)33-27-34(49-42-23-11-7-19-36(42)37-20-8-12-24-43(37)49)29-35(28-33)50-44-25-13-9-21-38(44)39-22-10-14-26-45(39)50;1-2-39-42-37-18-10-11-19-38(37)43(39)32-26-24-31(25-27-32)41-35-16-8-6-14-33(35)40(34-15-7-9-17-36(34)41)30-22-20-29(21-23-30)28-12-4-3-5-13-28;/h1-36H;1-30H;3-27H,2H2,1H3;1H4.

What are the key properties of 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane?

1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane has a molecular weight of 1890.40 g/mol, XLogP of 38.35, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-bis(2,4-diphenylphenyl)tetracene;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;methane is sourced from PubChem (CID 158744095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).