9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene

C39H30 — CID 59217060

IUPAC9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(/C=C/c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C39H30/c1-39(2)37-25-33(30-16-14-28(15-17-30)13-12-27-8-4-3-5-9-27)20-22-35(37)36-23-21-34(26-38(36)39)32-19-18-29-10-6-7-11-31(29)24-32/h3-26H,1-2H3/b13-12+
InChIKeyDYSGEWXXKHVEQY-OUKQBFOZSA-N
MW498.67 g/mol
LogP10.65
Rot. Bonds4

About 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene

9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene (PubChem CID 59217060) has the molecular formula C39H30 and a molecular weight of 498.67 g/mol. Its IUPAC name is 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
PubChem CID59217060
Molecular FormulaC39H30
Molecular Weight498.67 g/mol
Exact Mass498.23
IUPAC Name9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3ccc(/C=C/c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21
InChIInChI=1S/C39H30/c1-39(2)37-25-33(30-16-14-28(15-17-30)13-12-27-8-4-3-5-9-27)20-22-35(37)36-23-21-34(26-38(36)39)32-19-18-29-10-6-7-11-31(29)24-32/h3-26H,1-2H3/b13-12+
InChIKeyDYSGEWXXKHVEQY-OUKQBFOZSA-N
XLogP10.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 510.65
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-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
CID 72533469
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
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
2-(9,9-dimethylfluoren-2-yl)-7-[7-[7-[7-[9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 123392580
2-(9,9-dimethylfluoren-2-yl)-7-[9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 123709509
9,9-dimethyl-2-naphthalen-2-yl-7-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217079
9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217196
7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246115
2-bromo-9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)fluorene
CID 66667960

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene (CID 59217060) is 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene is CC1(C)c2cc(-c3ccc(/C=C/c4ccccc4)cc3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene?
The InChIKey is DYSGEWXXKHVEQY-OUKQBFOZSA-N. The full InChI is InChI=1S/C39H30/c1-39(2)37-25-33(30-16-14-28(15-17-30)13-12-27-8-4-3-5-9-27)20-22-35(37)36-23-21-34(26-38(36)39)32-19-18-29-10-6-7-11-31(29)24-32/h3-26H,1-2H3/b13-12+.
What are the key properties of 9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene?
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene has a molecular weight of 498.67 g/mol, XLogP of 10.65, 4 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-[4-[(E)-2-phenylethenyl]phenyl]fluorene is sourced from PubChem (CID 59217060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).