9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene

C127H86N6 — CID 159819873

About 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene

9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene (PubChem CID 159819873) has the molecular formula C127H86N6 and a molecular weight of 1696.13 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene.

Molecular Properties

• Compound Name: 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
• PubChem CID: 159819873
• Molecular Formula: C127H86N6
• Molecular Weight: 1696.13 g/mol
• Exact Mass: 1694.69
• IUPAC Name: 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
• SMILES: CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C52H34N4.C41H30N2.C34H22/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;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;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h1-34H;3-27H,2H2,1H3;1-22H
• InChIKey: NMCBVOZYWHNRJW-UHFFFAOYSA-N
• XLogP: 33.87
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1696.13
LogP ≤ 5	33.87
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 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?

The IUPAC name of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene (CID 159819873) is 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene.

What is the SMILES notation for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?

The canonical SMILES for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?

The InChIKey is NMCBVOZYWHNRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C41H30N2.C34H22/c1-3-16-35(17-4-1)37-20-15-21-38(30-37)46-34-47(54-52(53-46)36-18-5-2-6-19-36)39-31-40(55-48-26-11-7-22-42(48)43-23-8-12-27-49(43)55)33-41(32-39)56-50-28-13-9-24-44(50)45-25-10-14-29-51(45)56;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;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h1-34H;3-27H,2H2,1H3;1-22H.

What are the key properties of 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene?

9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene has a molecular weight of 1696.13 g/mol, XLogP of 33.87, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;2-ethyl-1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 159819873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).