11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene

C143H100 — CID 159897883

About 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene

11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene (PubChem CID 159897883) has the molecular formula C143H100 and a molecular weight of 1818.37 g/mol. Its IUPAC name is 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene.

Molecular Properties

• Compound Name: 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene
• PubChem CID: 159897883
• Molecular Formula: C143H100
• Molecular Weight: 1818.37 g/mol
• Exact Mass: 1816.78
• IUPAC Name: 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene
• SMILES: CC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)cc2-c2ccc3ccccc3c21
• InChI: InChI=1S/2C49H34.C45H32/c1-49(2)45-26-25-35(29-43(45)44-28-33-14-3-4-15-34(33)30-46(44)49)32-17-11-18-36(27-32)47-39-20-7-9-22-41(39)48(42-23-10-8-21-40(42)47)38-24-12-16-31-13-5-6-19-37(31)38;1-49(2)45-30-35(25-26-38(45)44-28-33-14-3-4-15-34(33)29-46(44)49)32-17-11-18-36(27-32)47-40-20-7-9-22-42(40)48(43-23-10-8-21-41(43)47)39-24-12-16-31-13-5-6-19-37(31)39;1-45(2)41-26-24-32(28-40(41)39-25-23-29-13-6-7-18-34(29)44(39)45)31-16-12-17-33(27-31)43-37-21-10-8-19-35(37)42(30-14-4-3-5-15-30)36-20-9-11-22-38(36)43/h2*3-30H,1-2H3;3-28H,1-2H3
• InChIKey: NVOREFAXXXZIJR-UHFFFAOYSA-N
• XLogP: 39.67
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1818.37
LogP ≤ 5	39.67
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 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene?

The IUPAC name of 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene (CID 159897883) is 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene.

What is the SMILES notation for 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene?

The canonical SMILES for 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene is CC1(C)c2cc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cc2-c2cc3ccccc3cc21.CC1(C)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)cc2-c2ccc3ccccc3c21.

What is the InChIKey of 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene?

The InChIKey is NVOREFAXXXZIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H34.C45H32/c1-49(2)45-26-25-35(29-43(45)44-28-33-14-3-4-15-34(33)30-46(44)49)32-17-11-18-36(27-32)47-39-20-7-9-22-41(39)48(42-23-10-8-21-40(42)47)38-24-12-16-31-13-5-6-19-37(31)38;1-49(2)45-30-35(25-26-38(45)44-28-33-14-3-4-15-34(33)29-46(44)49)32-17-11-18-36(27-32)47-40-20-7-9-22-42(40)48(43-23-10-8-21-41(43)47)39-24-12-16-31-13-5-6-19-37(31)39;1-45(2)41-26-24-32(28-40(41)39-25-23-29-13-6-7-18-34(29)44(39)45)31-16-12-17-33(27-31)43-37-21-10-8-19-35(37)42(30-14-4-3-5-15-30)36-20-9-11-22-38(36)43/h2*3-30H,1-2H3;3-28H,1-2H3.

What are the key properties of 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene?

11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene has a molecular weight of 1818.37 g/mol, XLogP of 39.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-3-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[b]fluorene;11,11-dimethyl-8-[3-(10-phenylanthracen-9-yl)phenyl]benzo[a]fluorene is sourced from PubChem (CID 159897883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).