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

C63H46 — CID 59217086

IUPAC9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C63H46/c1-63(2)61-41-49(51-35-45(29-27-43-15-5-3-6-16-43)37-53(39-51)57-25-13-21-47-19-9-11-23-55(47)57)31-33-59(61)60-34-32-50(42-62(60)63)52-36-46(30-28-44-17-7-4-8-18-44)38-54(40-52)58-26-14-22-48-20-10-12-24-56(48)58/h3-42H,1-2H3/b29-27+,30-28+
InChIKeyPXIMLKWOYGPLRC-QAVVBOBSSA-N
MW803.06 g/mol
LogP17.31
Rot. Bonds8

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

9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene (PubChem CID 59217086) has the molecular formula C63H46 and a molecular weight of 803.06 g/mol. Its IUPAC name is 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
PubChem CID59217086
Molecular FormulaC63H46
Molecular Weight803.06 g/mol
Exact Mass802.36
IUPAC Name9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
SMILESCC1(C)c2cc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)cc21
InChIInChI=1S/C63H46/c1-63(2)61-41-49(51-35-45(29-27-43-15-5-3-6-16-43)37-53(39-51)57-25-13-21-47-19-9-11-23-55(47)57)31-33-59(61)60-34-32-50(42-62(60)63)52-36-46(30-28-44-17-7-4-8-18-44)38-54(40-52)58-26-14-22-48-20-10-12-24-56(48)58/h3-42H,1-2H3/b29-27+,30-28+
InChIKeyPXIMLKWOYGPLRC-QAVVBOBSSA-N
XLogP17.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.06
LogP ≤ 517.31
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-[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217079
2,7-bis[3-(2,2-diphenylethenyl)-5-naphthalen-1-ylphenyl]-9,9-dimethylfluorene
CID 59217311
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
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
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-5-phenylphenyl]phenanthrene
CID 58569124
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
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

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
The IUPAC name of 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene (CID 59217086) is 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene.
What is the SMILES notation for 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
The canonical SMILES for 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene is CC1(C)c2cc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)ccc2-c2ccc(-c3cc(/C=C/c4ccccc4)cc(-c4cccc5ccccc45)c3)cc21.
What is the InChIKey of 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
The InChIKey is PXIMLKWOYGPLRC-QAVVBOBSSA-N. The full InChI is InChI=1S/C63H46/c1-63(2)61-41-49(51-35-45(29-27-43-15-5-3-6-16-43)37-53(39-51)57-25-13-21-47-19-9-11-23-55(47)57)31-33-59(61)60-34-32-50(42-62(60)63)52-36-46(30-28-44-17-7-4-8-18-44)38-54(40-52)58-26-14-22-48-20-10-12-24-56(48)58/h3-42H,1-2H3/b29-27+,30-28+.
What are the key properties of 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene?
9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene has a molecular weight of 803.06 g/mol, XLogP of 17.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2,7-bis[3-naphthalen-1-yl-5-[(E)-2-phenylethenyl]phenyl]fluorene is sourced from PubChem (CID 59217086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).