2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene

C44H34 — CID 143444869

IUPAC2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene
SMILESCC1C=CC2=C(C1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4cc(/C=C/c5ccccc5)ccc4c3)ccc12
InChIInChI=1S/C44H34/c1-31-17-25-40-41-26-24-37(36-23-22-34-28-33(20-21-35(34)29-36)19-18-32-11-5-2-6-12-32)30-43(41)44(42(40)27-31,38-13-7-3-8-14-38)39-15-9-4-10-16-39/h2-26,28-31H,27H2,1H3/b19-18+
InChIKeyKEEWIVIOULRTKD-VHEBQXMUSA-N
MW562.76 g/mol
LogP11.37
Rot. Bonds5

About 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene

2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene (PubChem CID 143444869) has the molecular formula C44H34 and a molecular weight of 562.76 g/mol. Its IUPAC name is 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene.

Molecular Properties

Compound Name2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene
PubChem CID143444869
Molecular FormulaC44H34
Molecular Weight562.76 g/mol
Exact Mass562.27
IUPAC Name2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene
SMILESCC1C=CC2=C(C1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4cc(/C=C/c5ccccc5)ccc4c3)ccc12
InChIInChI=1S/C44H34/c1-31-17-25-40-41-26-24-37(36-23-22-34-28-33(20-21-35(34)29-36)19-18-32-11-5-2-6-12-32)30-43(41)44(42(40)27-31,38-13-7-3-8-14-38)39-15-9-4-10-16-39/h2-26,28-31H,27H2,1H3/b19-18+
InChIKeyKEEWIVIOULRTKD-VHEBQXMUSA-N
XLogP11.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.76
LogP ≤ 511.37
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-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
9,9-dimethyl-2-naphthalen-2-yl-7-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217060
9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217196
5-phenyl-10-[7-[2-(7,9,9-trimethyl-7,8-dihydrofluoren-2-yl)ethenyl]triphenylen-2-yl]phenazine
CID 91279859
2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565666
9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236285
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
9-(4-methylphenyl)-7,9-diphenyl-N,N-bis(4-phenylphenyl)-7,8-dihydrofluoren-2-amine
CID 90277846
9-[4-(4-methylphenyl)phenyl]-2,7-dinaphthalen-2-yl-9-phenylfluorene
CID 58894843
6-(2-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yl)-2,4-bis[4-(4-phenylquinolin-2-yl)phenyl]-8-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 146332510
N-[4-(7-methylspiro[7,8-dihydrofluorene-9,9'-fluorene]-2-yl)phenyl]-N-naphthalen-2-yl-6-phenyl-3,4-dihydrodibenzofuran-4-amine
CID 166777300

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene?
The IUPAC name of 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene (CID 143444869) is 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene.
What is the SMILES notation for 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene?
The canonical SMILES for 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene is CC1C=CC2=C(C1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4cc(/C=C/c5ccccc5)ccc4c3)ccc12.
What is the InChIKey of 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene?
The InChIKey is KEEWIVIOULRTKD-VHEBQXMUSA-N. The full InChI is InChI=1S/C44H34/c1-31-17-25-40-41-26-24-37(36-23-22-34-28-33(20-21-35(34)29-36)19-18-32-11-5-2-6-12-32)30-43(41)44(42(40)27-31,38-13-7-3-8-14-38)39-15-9-4-10-16-39/h2-26,28-31H,27H2,1H3/b19-18+.
What are the key properties of 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene?
2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene has a molecular weight of 562.76 g/mol, XLogP of 11.37, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,9-diphenyl-7-[6-[(E)-2-phenylethenyl]naphthalen-2-yl]-1,2-dihydrofluorene is sourced from PubChem (CID 143444869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).