2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene

C48H46 — CID 101223256

IUPAC2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(CCC1C(c3ccccc3)=Cc3ccccc31)c1cc(C(C)(C)C)cc(-c3cccc4ccccc34)c1-2
InChIInChI=1S/C48H46/c1-47(2,3)34-23-24-41-43(28-34)40(26-25-39-37-21-13-11-18-33(37)27-42(39)32-15-8-7-9-16-32)45-30-35(48(4,5)6)29-44(46(41)45)38-22-14-19-31-17-10-12-20-36(31)38/h7-24,27-30,39-40H,25-26H2,1-6H3
InChIKeyCRJNGLMKPCHCKZ-UHFFFAOYSA-N
MW622.90 g/mol
LogP13.33
Rot. Bonds5

About 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene

2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene (PubChem CID 101223256) has the molecular formula C48H46 and a molecular weight of 622.90 g/mol. Its IUPAC name is 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene
PubChem CID101223256
Molecular FormulaC48H46
Molecular Weight622.90 g/mol
Exact Mass622.36
IUPAC Name2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene
SMILESCC(C)(C)c1ccc2c(c1)C(CCC1C(c3ccccc3)=Cc3ccccc31)c1cc(C(C)(C)C)cc(-c3cccc4ccccc34)c1-2
InChIInChI=1S/C48H46/c1-47(2,3)34-23-24-41-43(28-34)40(26-25-39-37-21-13-11-18-33(37)27-42(39)32-15-8-7-9-16-32)45-30-35(48(4,5)6)29-44(46(41)45)38-22-14-19-31-17-10-12-20-36(31)38/h7-24,27-30,39-40H,25-26H2,1-6H3
InChIKeyCRJNGLMKPCHCKZ-UHFFFAOYSA-N
XLogP13.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.90
LogP ≤ 513.33
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

3,6-ditert-butyl-9-[2-(2-methyl-1H-inden-1-yl)ethyl]-9H-fluorene
CID 91296033
9-[2-(9H-fluoren-9-yl)ethyl]-2,7-dinaphthalen-1-yl-9H-fluorene
CID 15494424
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
1-decyl-2-phenyl-1H-indene
CID 91542453
4-tert-butyl-2-naphthalen-1-ylbenzoic acid
CID 22306797
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 123978082
2-[3,5-bis(2-phenyl-1H-inden-1-yl)phenyl]-4-naphthalen-1-ylquinoline
CID 144815588
9-tert-butyl-10-naphthalen-1-yl-2-(4-phenylphenyl)anthracene
CID 123351108
2-tert-butyl-9-[4-(2-methylphenyl)naphthalen-1-yl]-10-naphthalen-1-ylanthracene
CID 58895436
2,7-ditert-butyl-9-[(2,7-ditert-butyl-4-methyl-9H-fluoren-9-yl)methyl]-4-methyl-9H-fluorene
CID 57267216
9-tert-butyl-10-naphthalen-2-yl-2-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenanthren-9-ylnaphthalen-1-yl)anthracene;9-tert-butyl-10-naphthalen-2-yl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 161108763

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene?
The IUPAC name of 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene (CID 101223256) is 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene.
What is the SMILES notation for 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene?
The canonical SMILES for 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene is CC(C)(C)c1ccc2c(c1)C(CCC1C(c3ccccc3)=Cc3ccccc31)c1cc(C(C)(C)C)cc(-c3cccc4ccccc34)c1-2.
What is the InChIKey of 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene?
The InChIKey is CRJNGLMKPCHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46/c1-47(2,3)34-23-24-41-43(28-34)40(26-25-39-37-21-13-11-18-33(37)27-42(39)32-15-8-7-9-16-32)45-30-35(48(4,5)6)29-44(46(41)45)38-22-14-19-31-17-10-12-20-36(31)38/h7-24,27-30,39-40H,25-26H2,1-6H3.
What are the key properties of 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene?
2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene has a molecular weight of 622.90 g/mol, XLogP of 13.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-4-naphthalen-1-yl-9-[2-(2-phenyl-1H-inden-1-yl)ethyl]-9H-fluorene is sourced from PubChem (CID 101223256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).