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

C44H38N2 — CID 139937216

IUPAC2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
SMILESCNc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C(C)=Cc3cccc(-c4ccccc4)c31)c1cc(NC)ccc1-2
InChIInChI=1S/C44H38N2/c1-29-26-31-16-13-21-36(30-14-7-4-8-15-30)41(31)42(29)44(32-17-9-5-10-18-32,33-19-11-6-12-20-33)43-39-27-34(45-2)22-24-37(39)38-25-23-35(46-3)28-40(38)43/h4-28,42-43,45-46H,1-3H3
InChIKeyOWJUIFHCZGWAKS-UHFFFAOYSA-N
MW594.80 g/mol
LogP10.74
Rot. Bonds7

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

2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine (PubChem CID 139937216) has the molecular formula C44H38N2 and a molecular weight of 594.80 g/mol. Its IUPAC name is 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
PubChem CID139937216
Molecular FormulaC44H38N2
Molecular Weight594.80 g/mol
Exact Mass594.30
IUPAC Name2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine
SMILESCNc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C(C)=Cc3cccc(-c4ccccc4)c31)c1cc(NC)ccc1-2
InChIInChI=1S/C44H38N2/c1-29-26-31-16-13-21-36(30-14-7-4-8-15-30)41(31)42(29)44(32-17-9-5-10-18-32,33-19-11-6-12-20-33)43-39-27-34(45-2)22-24-37(39)38-25-23-35(46-3)28-40(38)43/h4-28,42-43,45-46H,1-3H3
InChIKeyOWJUIFHCZGWAKS-UHFFFAOYSA-N
XLogP10.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.80
LogP ≤ 510.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine 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-ditert-butyl-9-[(2-methyl-7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937049
9-[(2,7-dimethyl-1H-inden-1-yl)-diphenylmethyl]-2,7-dimethyl-9H-fluorene
CID 139937081
2,7-ditert-butyl-9-[(2-methyl-7-naphthalen-1-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937143
2,7-ditert-butyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139936992
9-[(2-methyl-5-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937239
2,7-dibenzyl-9-[(2-methyl-7-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937040
2,7-ditert-butyl-9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937068
2,7-dibenzyl-9-[(2-methyl-5-propan-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937267
9-[diphenyl-(7-phenyl-1H-inden-1-yl)methyl]-9H-fluorene
CID 139937017
2,7-dimethyl-9-[(7-naphthalen-2-yl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene
CID 139937205
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 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine (CID 139937216) is 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine is CNc1ccc2c(c1)C(C(c1ccccc1)(c1ccccc1)C1C(C)=Cc3cccc(-c4ccccc4)c31)c1cc(NC)ccc1-2.
What is the InChIKey of 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine?
The InChIKey is OWJUIFHCZGWAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H38N2/c1-29-26-31-16-13-21-36(30-14-7-4-8-15-30)41(31)42(29)44(32-17-9-5-10-18-32,33-19-11-6-12-20-33)43-39-27-34(45-2)22-24-37(39)38-25-23-35(46-3)28-40(38)43/h4-28,42-43,45-46H,1-3H3.
What are the key properties of 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine?
2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine has a molecular weight of 594.80 g/mol, XLogP of 10.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dimethyl-9-[(2-methyl-7-phenyl-1H-inden-1-yl)-diphenylmethyl]-9H-fluorene-2,7-diamine is sourced from PubChem (CID 139937216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).