5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene

C143H100 — CID 160895073

About 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene

5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene (PubChem CID 160895073) has the molecular formula C143H100 and a molecular weight of 1818.37 g/mol. Its IUPAC name is 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene.

Molecular Properties

• Compound Name: 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
• PubChem CID: 160895073
• Molecular Formula: C143H100
• Molecular Weight: 1818.37 g/mol
• Exact Mass: 1816.78
• IUPAC Name: 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
• SMILES: CC1(C)c2cc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccc(-c3cccc(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c3)cc2-c2cc3ccccc3cc21
• InChI: InChI=1S/C53H36.2C45H32/c1-53(2)50-25-24-41(30-48(50)49-29-36-11-3-4-12-37(36)32-51(49)53)35-14-9-13-34(26-35)38-19-20-40-28-42(22-21-39(40)27-38)47-31-43-23-18-33-10-5-6-15-44(33)52(43)46-17-8-7-16-45(46)47;1-45(2)43-28-39(21-22-41(43)42-23-20-30-9-5-6-13-40(30)44(42)45)33-12-7-11-32(25-33)34-16-17-38-27-37(19-18-36(38)26-34)35-15-14-29-8-3-4-10-31(29)24-35;1-45(2)43-28-40(20-21-41(43)42-26-33-10-5-6-11-34(33)27-44(42)45)32-13-7-12-31(23-32)35-16-17-39-25-38(19-18-37(39)24-35)36-15-14-29-8-3-4-9-30(29)22-36/h3-32H,1-2H3;2*3-28H,1-2H3
• InChIKey: SOTNXUOYCOGEHH-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_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene?

The IUPAC name of 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene (CID 160895073) is 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene.

What is the SMILES notation for 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene?

The canonical SMILES for 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene is CC1(C)c2cc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)ccc2-c2cc3ccccc3cc21.CC1(C)c2cc(-c3cccc(-c4ccc5cc(-c6ccc7ccccc7c6)ccc5c4)c3)ccc2-c2ccc3ccccc3c21.CC1(C)c2ccc(-c3cccc(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c3)cc2-c2cc3ccccc3cc21.

What is the InChIKey of 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene?

The InChIKey is SOTNXUOYCOGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36.2C45H32/c1-53(2)50-25-24-41(30-48(50)49-29-36-11-3-4-12-37(36)32-51(49)53)35-14-9-13-34(26-35)38-19-20-40-28-42(22-21-39(40)27-38)47-31-43-23-18-33-10-5-6-15-44(33)52(43)46-17-8-7-16-45(46)47;1-45(2)43-28-39(21-22-41(43)42-23-20-30-9-5-6-13-40(30)44(42)45)33-12-7-11-32(25-33)34-16-17-38-27-37(19-18-36(38)26-34)35-15-14-29-8-3-4-10-31(29)24-35;1-45(2)43-28-40(20-21-41(43)42-26-33-10-5-6-11-34(33)27-44(42)45)32-13-7-12-31(23-32)35-16-17-39-25-38(19-18-37(39)24-35)36-15-14-29-8-3-4-9-30(29)22-36/h3-32H,1-2H3;2*3-28H,1-2H3.

What are the key properties of 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene?

5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]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 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;11,11-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene is sourced from PubChem (CID 160895073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).