11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene

C123H88 — CID 160671642

About 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene

11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene (PubChem CID 160671642) has the molecular formula C123H88 and a molecular weight of 1566.06 g/mol. Its IUPAC name is 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene.

Molecular Properties

• Compound Name: 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
• PubChem CID: 160671642
• Molecular Formula: C123H88
• Molecular Weight: 1566.06 g/mol
• Exact Mass: 1564.69
• IUPAC Name: 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene
• SMILES: CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1ccccc21
• InChI: InChI=1S/C45H32.2C39H28/c1-45(2)40-27-25-30-12-6-7-15-34(30)44(40)39-26-24-33(28-41(39)45)29-20-22-32(23-21-29)43-37-18-10-8-16-35(37)42(31-13-4-3-5-14-31)36-17-9-11-19-38(36)43;1-39(2)34-23-13-12-22-32(34)38-27-17-7-6-16-26(27)33(24-35(38)39)37-30-20-10-8-18-28(30)36(25-14-4-3-5-15-25)29-19-9-11-21-31(29)37;1-39(2)35-24-28(20-21-29(35)34-22-26-14-6-7-15-27(26)23-36(34)39)38-32-18-10-8-16-30(32)37(25-12-4-3-5-13-25)31-17-9-11-19-33(31)38/h3-28H,1-2H3;2*3-24H,1-2H3
• InChIKey: RMZROKDFHGYVTP-UHFFFAOYSA-N
• XLogP: 34.03
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1566.06
LogP ≤ 5	34.03
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-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?

The IUPAC name of 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene (CID 160671642) is 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene.

What is the SMILES notation for 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?

The canonical SMILES for 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene is CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3ccccc3)c3ccccc13)c1ccccc21.

What is the InChIKey of 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?

The InChIKey is RMZROKDFHGYVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32.2C39H28/c1-45(2)40-27-25-30-12-6-7-15-34(30)44(40)39-26-24-33(28-41(39)45)29-20-22-32(23-21-29)43-37-18-10-8-16-35(37)42(31-13-4-3-5-14-31)36-17-9-11-19-38(36)43;1-39(2)34-23-13-12-22-32(34)38-27-17-7-6-16-26(27)33(24-35(38)39)37-30-20-10-8-18-28(30)36(25-14-4-3-5-15-25)29-19-9-11-21-31(29)37;1-39(2)35-24-28(20-21-29(35)34-22-26-14-6-7-15-27(26)23-36(34)39)38-32-18-10-8-16-30(32)37(25-12-4-3-5-13-25)31-17-9-11-19-33(31)38/h3-28H,1-2H3;2*3-24H,1-2H3.

What are the key properties of 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene?

11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene has a molecular weight of 1566.06 g/mol, XLogP of 34.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 11,11-dimethyl-2-(10-phenylanthracen-9-yl)benzo[b]fluorene;7,7-dimethyl-5-(10-phenylanthracen-9-yl)benzo[c]fluorene;7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]benzo[c]fluorene is sourced from PubChem (CID 160671642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).