2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene

C57H42 — CID 165030326

IUPAC2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
SMILESCC1(C)c2ccccc2-c2cc(C(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3-4)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C57H42/c1-56(2)51-25-15-14-24-47(51)49-36-43(30-32-52(49)56)55(42-27-26-39-18-12-13-19-40(39)34-42)44-28-31-48-50-35-41(38-16-6-3-7-17-38)29-33-53(50)57(54(48)37-44,45-20-8-4-9-21-45)46-22-10-5-11-23-46/h3-37,55H,1-2H3
InChIKeySNGDIWGFBFJGSM-UHFFFAOYSA-N
MW726.96 g/mol
LogP14.36
Rot. Bonds6

About 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene

2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene (PubChem CID 165030326) has the molecular formula C57H42 and a molecular weight of 726.96 g/mol. Its IUPAC name is 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene.

Molecular Properties

Compound Name2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
PubChem CID165030326
Molecular FormulaC57H42
Molecular Weight726.96 g/mol
Exact Mass726.33
IUPAC Name2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene
SMILESCC1(C)c2ccccc2-c2cc(C(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3-4)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C57H42/c1-56(2)51-25-15-14-24-47(51)49-36-43(30-32-52(49)56)55(42-27-26-39-18-12-13-19-40(39)34-42)44-28-31-48-50-35-41(38-16-6-3-7-17-38)29-33-53(50)57(54(48)37-44,45-20-8-4-9-21-45)46-22-10-5-11-23-46/h3-37,55H,1-2H3
InChIKeySNGDIWGFBFJGSM-UHFFFAOYSA-N
XLogP14.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.96
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(9,9-diphenylfluoren-2-yl)-naphthalen-1-ylmethyl]-6,9,9-triphenylfluorene
CID 142604775
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-6,9,9-triphenylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157391527
3,9,9-triphenylfluorene
CID 140844354
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-3'-amine
CID 159388260
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-naphthalen-2-yl-8-phenylbenzo[a]fluoren-6-amine
CID 170373098
4-(9,9-dimethylfluoren-2-yl)-8,8,13,13-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14,16,18,20(24),21-undecaene
CID 171742930
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)-3-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159227060

Frequently Asked Questions

What is the IUPAC name of 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene?
The IUPAC name of 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene (CID 165030326) is 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene.
What is the SMILES notation for 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene?
The canonical SMILES for 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene is CC1(C)c2ccccc2-c2cc(C(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccc(-c5ccccc5)cc3-4)c3ccc4ccccc4c3)ccc21.
What is the InChIKey of 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene?
The InChIKey is SNGDIWGFBFJGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42/c1-56(2)51-25-15-14-24-47(51)49-36-43(30-32-52(49)56)55(42-27-26-39-18-12-13-19-40(39)34-42)44-28-31-48-50-35-41(38-16-6-3-7-17-38)29-33-53(50)57(54(48)37-44,45-20-8-4-9-21-45)46-22-10-5-11-23-46/h3-37,55H,1-2H3.
What are the key properties of 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene?
2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene has a molecular weight of 726.96 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,9-dimethylfluoren-3-yl)-naphthalen-2-ylmethyl]-6,9,9-triphenylfluorene is sourced from PubChem (CID 165030326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).