11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene

C155H106 — CID 158156117

About 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene

11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene (PubChem CID 158156117) has the molecular formula C155H106 and a molecular weight of 1968.55 g/mol. Its IUPAC name is 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene.

Molecular Properties

• Compound Name: 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene
• PubChem CID: 158156117
• Molecular Formula: C155H106
• Molecular Weight: 1968.55 g/mol
• Exact Mass: 1966.83
• IUPAC Name: 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene
• SMILES: CC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)cccc21.CC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cccc21.CC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc34)cccc21
• InChI: InChI=1S/2C53H36.C49H34/c1-53(2)48-25-13-24-45(52(48)47-30-35-14-3-4-15-36(35)32-49(47)53)51-43-22-11-9-20-41(43)50(42-21-10-12-23-44(42)51)34-28-26-33(27-29-34)46-31-37-16-5-6-17-38(37)39-18-7-8-19-40(39)46;1-53(2)48-29-15-28-45(52(48)47-30-33-16-3-4-17-34(33)32-49(47)53)51-43-26-13-11-24-41(43)50(42-25-12-14-27-44(42)51)40-23-10-9-22-39(40)46-31-35-18-5-6-19-36(35)37-20-7-8-21-38(37)46;1-49(2)44-24-12-23-42(48(44)43-29-34-15-5-6-16-35(34)30-45(43)49)47-40-21-9-7-19-38(40)46(39-20-8-10-22-41(39)47)37-18-11-17-33(28-37)36-26-25-31-13-3-4-14-32(31)27-36/h2*3-32H,1-2H3;3-30H,1-2H3
• InChIKey: FVSANCCXHCNSJE-UHFFFAOYSA-N
• XLogP: 43.13
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1968.55
LogP ≤ 5	43.13
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 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene?

The IUPAC name of 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene (CID 158156117) is 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene.

What is the SMILES notation for 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene?

The canonical SMILES for 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene is CC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)cccc21.CC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4cccc(-c5ccc6ccccc6c5)c4)c4ccccc34)cccc21.CC1(C)c2cc3ccccc3cc2-c2c(-c3c4ccccc4c(-c4ccccc4-c4cc5ccccc5c5ccccc45)c4ccccc34)cccc21.

What is the InChIKey of 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene?

The InChIKey is FVSANCCXHCNSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H36.C49H34/c1-53(2)48-25-13-24-45(52(48)47-30-35-14-3-4-15-36(35)32-49(47)53)51-43-22-11-9-20-41(43)50(42-21-10-12-23-44(42)51)34-28-26-33(27-29-34)46-31-37-16-5-6-17-38(37)39-18-7-8-19-40(39)46;1-53(2)48-29-15-28-45(52(48)47-30-33-16-3-4-17-34(33)32-49(47)53)51-43-26-13-11-24-41(43)50(42-25-12-14-27-44(42)51)40-23-10-9-22-39(40)46-31-35-18-5-6-19-36(35)37-20-7-8-21-38(37)46;1-49(2)44-24-12-23-42(48(44)43-29-34-15-5-6-16-35(34)30-45(43)49)47-40-21-9-7-19-38(40)46(39-20-8-10-22-41(39)47)37-18-11-17-33(28-37)36-26-25-31-13-3-4-14-32(31)27-36/h2*3-32H,1-2H3;3-30H,1-2H3.

What are the key properties of 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene?

11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene has a molecular weight of 1968.55 g/mol, XLogP of 43.13, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene;11,11-dimethyl-4-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]benzo[b]fluorene is sourced from PubChem (CID 158156117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).