9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene

C43H32 — CID 72533469

IUPAC9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4cc(C=Cc5ccccc5)ccc4c3)cc21
InChIInChI=1S/C43H32/c1-43(2)41-27-37(35-17-16-31-10-6-7-11-32(31)25-35)20-22-39(41)40-23-21-38(28-42(40)43)36-19-18-33-24-30(14-15-34(33)26-36)13-12-29-8-4-3-5-9-29/h3-28H,1-2H3
InChIKeyAWVXTJCOCDPEDD-UHFFFAOYSA-N
MW548.73 g/mol
LogP11.80
Rot. Bonds4

About 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene

9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene (PubChem CID 72533469) has the molecular formula C43H32 and a molecular weight of 548.73 g/mol. Its IUPAC name is 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
PubChem CID72533469
Molecular FormulaC43H32
Molecular Weight548.73 g/mol
Exact Mass548.25
IUPAC Name9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene
SMILESCC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4cc(C=Cc5ccccc5)ccc4c3)cc21
InChIInChI=1S/C43H32/c1-43(2)41-27-37(35-17-16-31-10-6-7-11-32(31)25-35)20-22-39(41)40-23-21-38(28-42(40)43)36-19-18-33-24-30(14-15-34(33)26-36)13-12-29-8-4-3-5-9-29/h3-28H,1-2H3
InChIKeyAWVXTJCOCDPEDD-UHFFFAOYSA-N
XLogP11.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 511.80
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-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217196
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-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217079
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
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
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-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene?
The IUPAC name of 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene (CID 72533469) is 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene?
The canonical SMILES for 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene is CC1(C)c2cc(-c3ccc4ccccc4c3)ccc2-c2ccc(-c3ccc4cc(C=Cc5ccccc5)ccc4c3)cc21.
What is the InChIKey of 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene?
The InChIKey is AWVXTJCOCDPEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32/c1-43(2)41-27-37(35-17-16-31-10-6-7-11-32(31)25-35)20-22-39(41)40-23-21-38(28-42(40)43)36-19-18-33-24-30(14-15-34(33)26-36)13-12-29-8-4-3-5-9-29/h3-28H,1-2H3.
What are the key properties of 9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene?
9,9-dimethyl-2-naphthalen-2-yl-7-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene has a molecular weight of 548.73 g/mol, XLogP of 11.80, 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-[6-(2-phenylethenyl)naphthalen-2-yl]fluorene is sourced from PubChem (CID 72533469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).