9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene

C43H36 — CID 59217196

IUPAC9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
SMILESCC1(C)c2cc(-c3ccc(/C=C/c4ccc5ccccc5c4)cc3)ccc2-c2ccc(-c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C43H36/c1-43(2)41-27-37(33-16-13-29(14-17-33)11-12-30-15-18-31-7-3-5-9-34(31)25-30)21-23-39(41)40-24-22-38(28-42(40)43)36-20-19-32-8-4-6-10-35(32)26-36/h3,5,7,9,11-28H,4,6,8,10H2,1-2H3/b12-11+
InChIKeyNLSAEPANOPZVJF-VAWYXSNFSA-N
MW552.76 g/mol
LogP11.53
Rot. Bonds4

About 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene

9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene (PubChem CID 59217196) has the molecular formula C43H36 and a molecular weight of 552.76 g/mol. Its IUPAC name is 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
PubChem CID59217196
Molecular FormulaC43H36
Molecular Weight552.76 g/mol
Exact Mass552.28
IUPAC Name9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
SMILESCC1(C)c2cc(-c3ccc(/C=C/c4ccc5ccccc5c4)cc3)ccc2-c2ccc(-c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C43H36/c1-43(2)41-27-37(33-16-13-29(14-17-33)11-12-30-15-18-31-7-3-5-9-34(31)25-30)21-23-39(41)40-24-22-38(28-42(40)43)36-20-19-32-8-4-6-10-35(32)26-36/h3,5,7,9,11-28H,4,6,8,10H2,1-2H3/b12-11+
InChIKeyNLSAEPANOPZVJF-VAWYXSNFSA-N
XLogP11.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 511.53
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-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
9,9-dimethyl-2,7-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217252
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
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
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
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
2-(9H-fluoren-2-yl)-9,9-dimethyl-7-naphthalen-2-ylfluorene
CID 59217085
2-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]naphthalene
CID 54058053
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene?
The IUPAC name of 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene (CID 59217196) is 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene.
What is the SMILES notation for 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene?
The canonical SMILES for 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene is CC1(C)c2cc(-c3ccc(/C=C/c4ccc5ccccc5c4)cc3)ccc2-c2ccc(-c3ccc4c(c3)CCCC4)cc21.
What is the InChIKey of 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene?
The InChIKey is NLSAEPANOPZVJF-VAWYXSNFSA-N. The full InChI is InChI=1S/C43H36/c1-43(2)41-27-37(33-16-13-29(14-17-33)11-12-30-15-18-31-7-3-5-9-34(31)25-30)21-23-39(41)40-24-22-38(28-42(40)43)36-20-19-32-8-4-6-10-35(32)26-36/h3,5,7,9,11-28H,4,6,8,10H2,1-2H3/b12-11+.
What are the key properties of 9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene?
9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene has a molecular weight of 552.76 g/mol, XLogP of 11.53, 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-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene is sourced from PubChem (CID 59217196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).