5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene

C196H136 — CID 158997069

About 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene

5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene (PubChem CID 158997069) has the molecular formula C196H136 and a molecular weight of 2491.24 g/mol. Its IUPAC name is 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene.

Molecular Properties

• Compound Name: 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene
• PubChem CID: 158997069
• Molecular Formula: C196H136
• Molecular Weight: 2491.24 g/mol
• Exact Mass: 2489.06
• IUPAC Name: 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cc6ccc7ccccc7c6c6ccccc56)c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6cc7ccc8ccccc8c7c7ccccc67)c5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5)cc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5cccc(-c6cc7ccc8ccccc8c7c7ccccc67)c5)cc4c3)cc21
• InChI: InChI=1S/4C49H34/c1-49(2)46-21-10-9-19-42(46)43-25-24-34(30-47(43)49)37-27-26-36(39-16-5-6-17-40(37)39)32-13-11-14-33(28-32)45-29-35-23-22-31-12-3-4-15-38(31)48(35)44-20-8-7-18-41(44)45;1-49(2)46-17-8-7-15-42(46)43-25-24-36(30-47(43)49)35-22-19-31-18-21-34(27-39(31)28-35)33-11-9-12-37(26-33)45-29-38-23-20-32-10-3-4-13-40(32)48(38)44-16-6-5-14-41(44)45;1-49(2)46-17-8-7-15-42(46)43-25-24-37(30-47(43)49)36-22-21-34-26-33(19-20-35(34)27-36)32-11-9-12-38(28-32)45-29-39-23-18-31-10-3-4-13-40(31)48(39)44-16-6-5-14-41(44)45;1-49(2)46-14-8-7-12-42(46)43-26-25-37(30-47(43)49)36-23-18-32-17-22-35(27-39(32)28-36)31-15-19-34(20-16-31)45-29-38-24-21-33-9-3-4-10-40(33)48(38)44-13-6-5-11-41(44)45/h4*3-30H,1-2H3
• InChIKey: JQWDLGMONXFKPB-UHFFFAOYSA-N
• XLogP: 54.43
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2491.24
LogP ≤ 5	54.43
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-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene?

The IUPAC name of 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene (CID 158997069) is 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene.

What is the SMILES notation for 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene?

The canonical SMILES for 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4cccc(-c5cc6ccc7ccccc7c6c6ccccc56)c4)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4cc(-c5cccc(-c6cc7ccc8ccccc8c7c7ccccc67)c5)ccc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5ccc(-c6cc7ccc8ccccc8c7c7ccccc67)cc5)cc4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4ccc(-c5cccc(-c6cc7ccc8ccccc8c7c7ccccc67)c5)cc4c3)cc21.

What is the InChIKey of 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene?

The InChIKey is JQWDLGMONXFKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C49H34/c1-49(2)46-21-10-9-19-42(46)43-25-24-34(30-47(43)49)37-27-26-36(39-16-5-6-17-40(37)39)32-13-11-14-33(28-32)45-29-35-23-22-31-12-3-4-15-38(31)48(35)44-20-8-7-18-41(44)45;1-49(2)46-17-8-7-15-42(46)43-25-24-36(30-47(43)49)35-22-19-31-18-21-34(27-39(31)28-35)33-11-9-12-37(26-33)45-29-38-23-20-32-10-3-4-13-40(32)48(38)44-16-6-5-14-41(44)45;1-49(2)46-17-8-7-15-42(46)43-25-24-37(30-47(43)49)36-22-21-34-26-33(19-20-35(34)27-36)32-11-9-12-38(28-32)45-29-39-23-18-31-10-3-4-13-40(31)48(39)44-16-6-5-14-41(44)45;1-49(2)46-14-8-7-12-42(46)43-26-25-37(30-47(43)49)36-23-18-32-17-22-35(27-39(32)28-36)31-15-19-34(20-16-31)45-29-38-24-21-33-9-3-4-10-40(33)48(38)44-13-6-5-11-41(44)45/h4*3-30H,1-2H3.

What are the key properties of 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene?

5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene has a molecular weight of 2491.24 g/mol, XLogP of 54.43, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]benzo[c]phenanthrene;5-[3-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[3-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene;5-[4-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]phenyl]benzo[c]phenanthrene is sourced from PubChem (CID 158997069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).