2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

C53H46 — CID 139937267

IUPAC2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCC1=Cc2cc(C(C)C)ccc2C1C(c1ccccc1)(c1ccccc1)C1c2cc(Cc3ccccc3)ccc2-c2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C53H46/c1-36(2)42-26-29-46-43(35-42)30-37(3)51(46)53(44-20-12-6-13-21-44,45-22-14-7-15-23-45)52-49-33-40(31-38-16-8-4-9-17-38)24-27-47(49)48-28-25-41(34-50(48)52)32-39-18-10-5-11-19-39/h4-30,33-36,51-52H,31-32H2,1-3H3
InChIKeyFNPQLPMPWRSNQN-UHFFFAOYSA-N
MW682.95 g/mol
LogP13.29
Rot. Bonds9

About 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene

2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (PubChem CID 139937267) has the molecular formula C53H46 and a molecular weight of 682.95 g/mol. Its IUPAC name is 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.

Molecular Properties

Compound Name2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
PubChem CID139937267
Molecular FormulaC53H46
Molecular Weight682.95 g/mol
Exact Mass682.36
IUPAC Name2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
SMILESCC1=Cc2cc(C(C)C)ccc2C1C(c1ccccc1)(c1ccccc1)C1c2cc(Cc3ccccc3)ccc2-c2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C53H46/c1-36(2)42-26-29-46-43(35-42)30-37(3)51(46)53(44-20-12-6-13-21-44,45-22-14-7-15-23-45)52-49-33-40(31-38-16-8-4-9-17-38)24-27-47(49)48-28-25-41(34-50(48)52)32-39-18-10-5-11-19-39/h4-30,33-36,51-52H,31-32H2,1-3H3
InChIKeyFNPQLPMPWRSNQN-UHFFFAOYSA-N
XLogP13.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.95
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
2,7-ditert-butyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
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
2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
CID 139937216
2,7-dibenzyl-9-[(4-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937279
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
1-(2-methyl-1-phenylpropan-2-yl)-4-[(4-propan-2-ylphenyl)methyl]benzene
CID 163531384
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
1-(2-methyl-2-phenylpropyl)-3-propan-2-ylbenzene
CID 145484957
1-(2-methyl-2-phenylpropyl)-4-propan-2-ylbenzene
CID 57304715

Frequently Asked Questions

What is the IUPAC name of 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The IUPAC name of 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene (CID 139937267) is 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene.
What is the SMILES notation for 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The canonical SMILES for 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is CC1=Cc2cc(C(C)C)ccc2C1C(c1ccccc1)(c1ccccc1)C1c2cc(Cc3ccccc3)ccc2-c2ccc(Cc3ccccc3)cc21.
What is the InChIKey of 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
The InChIKey is FNPQLPMPWRSNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H46/c1-36(2)42-26-29-46-43(35-42)30-37(3)51(46)53(44-20-12-6-13-21-44,45-22-14-7-15-23-45)52-49-33-40(31-38-16-8-4-9-17-38)24-27-47(49)48-28-25-41(34-50(48)52)32-39-18-10-5-11-19-39/h4-30,33-36,51-52H,31-32H2,1-3H3.
What are the key properties of 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene?
2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene has a molecular weight of 682.95 g/mol, XLogP of 13.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene is sourced from PubChem (CID 139937267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).