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

C39H34 — CID 139937081

IUPAC9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
SMILESCC1=Cc2cccc(C)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C39H34/c1-25-18-20-32-33-21-19-26(2)23-35(33)38(34(32)22-25)39(30-14-7-5-8-15-30,31-16-9-6-10-17-31)37-28(4)24-29-13-11-12-27(3)36(29)37/h5-24,37-38H,1-4H3
InChIKeyPHJCVYFCHHQSEH-UHFFFAOYSA-N
MW502.70 g/mol
LogP9.91
Rot. Bonds4

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

9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene (PubChem CID 139937081) has the molecular formula C39H34 and a molecular weight of 502.70 g/mol. Its IUPAC name is 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene.

Molecular Properties

Compound Name9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
PubChem CID139937081
Molecular FormulaC39H34
Molecular Weight502.70 g/mol
Exact Mass502.27
IUPAC Name9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
SMILESCC1=Cc2cccc(C)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(C)ccc2-c2ccc(C)cc21
InChIInChI=1S/C39H34/c1-25-18-20-32-33-21-19-26(2)23-35(33)38(34(32)22-25)39(30-14-7-5-8-15-30,31-16-9-6-10-17-31)37-28(4)24-29-13-11-12-27(3)36(29)37/h5-24,37-38H,1-4H3
InChIKeyPHJCVYFCHHQSEH-UHFFFAOYSA-N
XLogP9.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-ditert-butyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
CID 139937216
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937049
9-[1H-inden-1-yl(diphenyl)methyl]-2,7-dimethyl-9H-fluorene
CID 139937183
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937205
2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937267
2,7-dibenzyl-9-[(6-methyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937084
2,7-ditert-butyl-9-[diphenyl-(7-propan-2-yl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937266
1-(1,1-diphenylethyl)-2-methyl-1H-indene
CID 140629859

Frequently Asked Questions

What is the IUPAC name of 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene?
The IUPAC name of 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene (CID 139937081) is 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene.
What is the SMILES notation for 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene?
The canonical SMILES for 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene is CC1=Cc2cccc(C)c2C1C(c1ccccc1)(c1ccccc1)C1c2cc(C)ccc2-c2ccc(C)cc21.
What is the InChIKey of 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene?
The InChIKey is PHJCVYFCHHQSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H34/c1-25-18-20-32-33-21-19-26(2)23-35(33)38(34(32)22-25)39(30-14-7-5-8-15-30,31-16-9-6-10-17-31)37-28(4)24-29-13-11-12-27(3)36(29)37/h5-24,37-38H,1-4H3.
What are the key properties of 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene?
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene has a molecular weight of 502.70 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene is sourced from PubChem (CID 139937081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).