2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

C131H94 — CID 160677802

About 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 160677802) has the molecular formula C131H94 and a molecular weight of 1668.19 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• PubChem CID: 160677802
• Molecular Formula: C131H94
• Molecular Weight: 1668.19 g/mol
• Exact Mass: 1666.74
• IUPAC Name: 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• SMILES: C.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C47H32.C47H34.C36H24.CH4/c1-47(2)43-22-12-11-17-36(43)37-26-24-30(28-44(37)47)46-40-20-9-7-18-38(40)45(39-19-8-10-21-41(39)46)29-23-25-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)42(35)27-29;1-47(2)43-23-13-12-18-37(43)38-29-28-34(30-44(38)47)46-41-21-10-8-19-39(41)45(40-20-9-11-22-42(40)46)33-26-24-32(25-27-33)36-17-7-6-16-35(36)31-14-4-3-5-15-31;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;/h3-28H,1-2H3;3-30H,1-2H3;1-24H;1H4
• InChIKey: RNTDBICYAVMZBZ-UHFFFAOYSA-N
• XLogP: 36.84
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1668.19
LogP ≤ 5	36.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 160677802) is 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The canonical SMILES for 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is C.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5-c5ccccc5)cc4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccccc34)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The InChIKey is RNTDBICYAVMZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32.C47H34.C36H24.CH4/c1-47(2)43-22-12-11-17-36(43)37-26-24-30(28-44(37)47)46-40-20-9-7-18-38(40)45(39-19-8-10-21-41(39)46)29-23-25-35-33-15-4-3-13-31(33)32-14-5-6-16-34(32)42(35)27-29;1-47(2)43-23-13-12-18-37(43)38-29-28-34(30-44(38)47)46-41-21-10-8-19-39(41)45(40-20-9-11-22-42(40)46)33-26-24-32(25-27-33)36-17-7-6-16-35(36)31-14-4-3-5-15-31;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;/h3-28H,1-2H3;3-30H,1-2H3;1-24H;1H4.

What are the key properties of 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 1668.19 g/mol, XLogP of 36.84, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 160677802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).