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

C98H68 — CID 160621159

About 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;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-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene (PubChem CID 160621159) has the molecular formula C98H68 and a molecular weight of 1245.62 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-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-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene
• PubChem CID: 160621159
• Molecular Formula: C98H68
• Molecular Weight: 1245.62 g/mol
• Exact Mass: 1244.53
• IUPAC Name: 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;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)c2ccc(-c3cccc(-c4ccc5cc(-c6cc7ccc8ccccc8c7c7ccccc67)ccc5c4)c3)cc2-c2cc3ccccc3cc21
• InChI: InChI=1S/C53H36.C45H32/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)43-28-40(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;3-28H,1-2H3
• InChIKey: RGSJBVHETPPSBE-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 0.00 Ų
• Rotatable Bonds: 6
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1245.62
LogP ≤ 5	27.21
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-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-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene (CID 160621159) is 5-[6-[3-(11,11-dimethylbenzo[b]fluoren-3-yl)phenyl]naphthalen-2-yl]benzo[c]phenanthrene;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-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-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)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-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene?

The InChIKey is RGSJBVHETPPSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36.C45H32/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)43-28-40(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;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-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-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene has a molecular weight of 1245.62 g/mol, XLogP of 27.21, 6 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-2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]benzo[b]fluorene is sourced from PubChem (CID 160621159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).