2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

C47H36 — CID 139937205

IUPAC2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=Cc3cccc(-c4ccc5ccccc5c4)c31)c1cc(C)ccc1-2
InChIInChI=1S/C47H36/c1-31-20-25-40-41-26-21-32(2)29-43(41)46(42(40)28-31)47(37-15-5-3-6-16-37,38-17-7-4-8-18-38)44-27-24-34-14-11-19-39(45(34)44)36-23-22-33-12-9-10-13-35(33)30-36/h3-30,44,46H,1-2H3
InChIKeyKUGDYZCKCVGOIJ-UHFFFAOYSA-N
MW600.81 g/mol
LogP12.03
Rot. Bonds5

About 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (PubChem CID 139937205) has the molecular formula C47H36 and a molecular weight of 600.81 g/mol. Its IUPAC name is 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
PubChem CID139937205
Molecular FormulaC47H36
Molecular Weight600.81 g/mol
Exact Mass600.28
IUPAC Name2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=Cc3cccc(-c4ccc5ccccc5c4)c31)c1cc(C)ccc1-2
InChIInChI=1S/C47H36/c1-31-20-25-40-41-26-21-32(2)29-43(41)46(42(40)28-31)47(37-15-5-3-6-16-37,38-17-7-4-8-18-38)44-27-24-34-14-11-19-39(45(34)44)36-23-22-33-12-9-10-13-35(33)30-36/h3-30,44,46H,1-2H3
InChIKeyKUGDYZCKCVGOIJ-UHFFFAOYSA-N
XLogP12.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.81
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
CID 139937183
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937017
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937049
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937084
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
CID 139937081
5-methyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),3,5,9,11(15),12-heptaene
CID 143619734
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937279
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The IUPAC name of 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (CID 139937205) is 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.
What is the SMILES notation for 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The canonical SMILES for 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is Cc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C=Cc3cccc(-c4ccc5ccccc5c4)c31)c1cc(C)ccc1-2.
What is the InChIKey of 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The InChIKey is KUGDYZCKCVGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H36/c1-31-20-25-40-41-26-21-32(2)29-43(41)46(42(40)28-31)47(37-15-5-3-6-16-37,38-17-7-4-8-18-38)44-27-24-34-14-11-19-39(45(34)44)36-23-22-33-12-9-10-13-35(33)30-36/h3-30,44,46H,1-2H3.
What are the key properties of 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene has a molecular weight of 600.81 g/mol, XLogP of 12.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is sourced from PubChem (CID 139937205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).