9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene

C100H72 — CID 159887994

About 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene

9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene (PubChem CID 159887994) has the molecular formula C100H72 and a molecular weight of 1273.68 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene.

Molecular Properties

• Compound Name: 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
• PubChem CID: 159887994
• Molecular Formula: C100H72
• Molecular Weight: 1273.68 g/mol
• Exact Mass: 1272.56
• IUPAC Name: 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1
• InChI: InChI=1S/C39H28.C35H26.C26H18/c1-39(2)35-21-10-9-15-28(35)29-23-22-26(24-36(29)39)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)30-20-11-13-25-12-3-4-14-27(25)30;1-35(2)31-19-11-10-14-25(31)26-21-20-24(22-32(26)35)34-29-17-8-6-15-27(29)33(23-12-4-3-5-13-23)28-16-7-9-18-30(28)34;1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h3-24H,1-2H3;3-22H,1-2H3;1-18H
• InChIKey: NUJNNXSJNFAQRY-UHFFFAOYSA-N
• XLogP: 27.75
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1273.68
LogP ≤ 5	27.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene?

The IUPAC name of 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene (CID 159887994) is 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene.

What is the SMILES notation for 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene?

The canonical SMILES for 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.

What is the InChIKey of 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene?

The InChIKey is NUJNNXSJNFAQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28.C35H26.C26H18/c1-39(2)35-21-10-9-15-28(35)29-23-22-26(24-36(29)39)37-31-16-5-7-18-33(31)38(34-19-8-6-17-32(34)37)30-20-11-13-25-12-3-4-14-27(25)30;1-35(2)31-19-11-10-14-25(31)26-21-20-24(22-32(26)35)34-29-17-8-6-15-27(29)33(23-12-4-3-5-13-23)28-16-7-9-18-30(28)34;1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h3-24H,1-2H3;3-22H,1-2H3;1-18H.

What are the key properties of 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene?

9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene has a molecular weight of 1273.68 g/mol, XLogP of 27.75, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene is sourced from PubChem (CID 159887994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).