3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene

C80H56 — CID 123322514

About 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene

3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene (PubChem CID 123322514) has the molecular formula C80H56 and a molecular weight of 1017.33 g/mol. Its IUPAC name is 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene.

Molecular Properties

• Compound Name: 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
• PubChem CID: 123322514
• Molecular Formula: C80H56
• Molecular Weight: 1017.33 g/mol
• Exact Mass: 1016.44
• IUPAC Name: 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene
• SMILES: CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3-4)cc21
• InChI: InChI=1S/C80H56/c1-79(2)74-45-60(55-22-20-52(21-23-55)50-16-18-51(19-17-50)53-28-31-57(32-29-53)64-42-43-73-66-13-8-7-12-65(66)72-15-9-14-71(64)78(72)73)34-38-67(74)69-40-36-62(47-76(69)79)63-37-41-70-68-39-35-61(46-75(68)80(3,4)77(70)48-63)56-26-24-54(25-27-56)59-33-30-49-10-5-6-11-58(49)44-59/h5-48H,1-4H3
• InChIKey: PMUNKNODXNLFKZ-UHFFFAOYSA-N
• XLogP: 21.92
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.33
LogP ≤ 5	21.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene?

The IUPAC name of 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene (CID 123322514) is 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene.

What is the SMILES notation for 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene?

The canonical SMILES for 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene is CC1(C)c2cc(-c3ccc(-c4ccc(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)cc4)cc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc3-4)cc21.

What is the InChIKey of 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene?

The InChIKey is PMUNKNODXNLFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H56/c1-79(2)74-45-60(55-22-20-52(21-23-55)50-16-18-51(19-17-50)53-28-31-57(32-29-53)64-42-43-73-66-13-8-7-12-65(66)72-15-9-14-71(64)78(72)73)34-38-67(74)69-40-36-62(47-76(69)79)63-37-41-70-68-39-35-61(46-75(68)80(3,4)77(70)48-63)56-26-24-54(25-27-56)59-33-30-49-10-5-6-11-58(49)44-59/h5-48H,1-4H3.

What are the key properties of 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene?

3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene has a molecular weight of 1017.33 g/mol, XLogP of 21.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[4-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]phenyl]fluoranthene is sourced from PubChem (CID 123322514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).