9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene

C41H30 — CID 59217063

IUPAC9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
SMILESCC1(C)c2cc(-c3cccc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C41H30/c1-41(2)39-25-32(30-13-7-14-34(24-30)36-16-8-12-28-10-5-6-15-35(28)36)19-21-37(39)38-22-20-33(26-40(38)41)31-18-17-27-9-3-4-11-29(27)23-31/h3-26H,1-2H3
InChIKeyNGMOKHYQHLFUFS-UHFFFAOYSA-N
MW522.69 g/mol
LogP11.30
Rot. Bonds3

About 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene

9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene (PubChem CID 59217063) has the molecular formula C41H30 and a molecular weight of 522.69 g/mol. Its IUPAC name is 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
PubChem CID59217063
Molecular FormulaC41H30
Molecular Weight522.69 g/mol
Exact Mass522.23
IUPAC Name9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
SMILESCC1(C)c2cc(-c3cccc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C41H30/c1-41(2)39-25-32(30-13-7-14-34(24-30)36-16-8-12-28-10-5-6-15-35(28)36)19-21-37(39)38-22-20-33(26-40(38)41)31-18-17-27-9-3-4-11-29(27)23-31/h3-26H,1-2H3
InChIKeyNGMOKHYQHLFUFS-UHFFFAOYSA-N
XLogP11.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 511.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
tris(1-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)pyrene);tris(1-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)pyrene)
CID 159354982
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
5-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569078
5-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]benzo[c]phenanthrene
CID 58569070
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
1-[3-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]phenyl]pyrene;1-[9,9-dimethyl-7-(3-naphthalen-2-yl-5-phenylphenyl)fluoren-2-yl]pyrene;1-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]pyrene;1-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]pyrene;1-(4-naphthalen-2-ylnaphthalen-1-yl)pyrene;1-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]pyrene;1-(4-naphthalen-1-ylphenyl)pyrene;1-[4-(4-phenylphenyl)naphthalen-1-yl]pyrene
CID 160669115
3-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569073

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene?
The IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene (CID 59217063) is 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene.
What is the SMILES notation for 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene?
The canonical SMILES for 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene is CC1(C)c2cc(-c3cccc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene?
The InChIKey is NGMOKHYQHLFUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30/c1-41(2)39-25-32(30-13-7-14-34(24-30)36-16-8-12-28-10-5-6-15-35(28)36)19-21-37(39)38-22-20-33(26-40(38)41)31-18-17-27-9-3-4-11-29(27)23-31/h3-26H,1-2H3.
What are the key properties of 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene?
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene has a molecular weight of 522.69 g/mol, XLogP of 11.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene is sourced from PubChem (CID 59217063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).