9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene

C49H36 — CID 59217079

IUPAC9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C49H36/c1-49(2)47-31-39(38-22-21-35-13-6-7-15-37(35)29-38)23-25-45(47)46-26-24-40(32-48(46)49)41-27-34(20-19-33-11-4-3-5-12-33)28-42(30-41)44-18-10-16-36-14-8-9-17-43(36)44/h3-32H,1-2H3/b20-19+
InChIKeyJVAFLXUKDHNLCI-FMQUCBEESA-N
MW624.83 g/mol
LogP13.47
Rot. Bonds5

About 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene

9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene (PubChem CID 59217079) has the molecular formula C49H36 and a molecular weight of 624.83 g/mol. Its IUPAC name is 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
PubChem CID59217079
Molecular FormulaC49H36
Molecular Weight624.83 g/mol
Exact Mass624.28
IUPAC Name9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C49H36/c1-49(2)47-31-39(38-22-21-35-13-6-7-15-37(35)29-38)23-25-45(47)46-26-24-40(32-48(46)49)41-27-34(20-19-33-11-4-3-5-12-33)28-42(30-41)44-18-10-16-36-14-8-9-17-43(36)44/h3-32H,1-2H3/b20-19+
InChIKeyJVAFLXUKDHNLCI-FMQUCBEESA-N
XLogP13.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217086
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
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-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
CID 72533469
2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene
CID 59217311
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
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
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
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene (CID 59217079) is 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene is CC1(C)c2cc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
The InChIKey is JVAFLXUKDHNLCI-FMQUCBEESA-N. The full InChI is InChI=1S/C49H36/c1-49(2)47-31-39(38-22-21-35-13-6-7-15-37(35)29-38)23-25-45(47)46-26-24-40(32-48(46)49)41-27-34(20-19-33-11-4-3-5-12-33)28-42(30-41)44-18-10-16-36-14-8-9-17-43(36)44/h3-32H,1-2H3/b20-19+.
What are the key properties of 9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene has a molecular weight of 624.83 g/mol, XLogP of 13.47, 5 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-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene is sourced from PubChem (CID 59217079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).