N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine

C53H40F2N2O — CID 129130297

IUPACN-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine
SMILESCc1cnc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C3(c2cccc(F)c2)c2cccc(F)c2)c(-c2ccccc2)c1
InChIInChI=1S/C53H40F2N2O/c1-33-28-43(34-14-6-5-7-15-34)51(56-32-33)57(40-26-24-35(25-27-40)52(2,3)4)46-31-45-48(50-49(46)42-21-9-11-23-47(42)58-50)41-20-8-10-22-44(41)53(45,36-16-12-18-38(54)29-36)37-17-13-19-39(55)30-37/h5-32H,1-4H3
InChIKeyLSDJZXQWJNICGM-UHFFFAOYSA-N
MW758.91 g/mol
LogP14.37
Rot. Bonds6

About N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine

N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine (PubChem CID 129130297) has the molecular formula C53H40F2N2O and a molecular weight of 758.91 g/mol. Its IUPAC name is N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine.

Molecular Properties

Compound NameN-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine
PubChem CID129130297
Molecular FormulaC53H40F2N2O
Molecular Weight758.91 g/mol
Exact Mass758.31
IUPAC NameN-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine
SMILESCc1cnc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C3(c2cccc(F)c2)c2cccc(F)c2)c(-c2ccccc2)c1
InChIInChI=1S/C53H40F2N2O/c1-33-28-43(34-14-6-5-7-15-34)51(56-32-33)57(40-26-24-35(25-27-40)52(2,3)4)46-31-45-48(50-49(46)42-21-9-11-23-47(42)58-50)41-20-8-10-22-44(41)53(45,36-16-12-18-38(54)29-36)37-17-13-19-39(55)30-37/h5-32H,1-4H3
InChIKeyLSDJZXQWJNICGM-UHFFFAOYSA-N
XLogP14.37
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.91
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine 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

5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-5-N-(5-methyl-3-phenyl-2-pyridinyl)-9-N-(3-phenyl-2-pyridinyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 165062792
5-N',9-N'-bis(4-tert-butylphenyl)-9-N'-(3-dibenzofuran-4-yl-5-methyl-2-pyridinyl)-5-N'-(3-dibenzofuran-4-yl-2-pyridinyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 126632930
12-N,18-N-bis(4-tert-butylphenyl)-15-(3-fluorophenyl)-12-N,18-N-bis(4-methyl-2-phenylphenyl)-15-phenyl-26-oxa-10-thiaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(27),2,4,6,8,11,13,16,18,20,22,24-dodecaene-12,18-diamine
CID 126651779
9-N,15-N-bis(4-tert-butylphenyl)-9-N,15-N-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-ethylphenyl)-9-N,15-N-bis(5-phenylnaphthalen-2-yl)spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine;9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis[4-(2-methylphenyl)phenyl]spiro[23-oxahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene-12,9'-fluorene]-9,15-diamine
CID 160811020
11-N,17-N-bis(4-tert-butylphenyl)-17-N-(5-tert-butyl-2-pyridinyl)-14-(3-fluorophenyl)-11-N-(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine
CID 134597261
N-(4-tert-butylphenyl)-7,7-bis(4-methylphenyl)-N-(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5-amine
CID 140786782
N-(4-tert-butylphenyl)-N-(2,4-diphenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130259
12-N,18-N-bis(4-tert-butylphenyl)-3'-methyl-12-N,18-N-bis(4-naphthalen-2-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-indeno[2,1-b]pyridine]-12,18-diamine;5-N,9-N-bis(4-tert-butylphenyl)-3'-methyl-5-N,9-N-bis(4-phenylphenyl)spiro[fluoreno[4,3-b][1]benzofuran-7,9'-indeno[2,1-b]pyridine]-5,9-diamine
CID 158172755
5-N',9-N'-bis(4-tert-butylphenyl)-5-N',9-N'-bis[5-methyl-3-(4-methylphenyl)-2-pyridinyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(4-methylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(9,9-dimethylfluoren-2-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(4-methylphenyl)-5-N',9-N'-bis[4-(2-methylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-bis(2-methylphenyl)-5-N',9-N'-bis(6-phenylnaphthalen-2-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine;5-N',9-N'-di(dibenzofuran-4-yl)-5-N',9-N'-bis(2-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5',9'-diamine
CID 157493728
17-N-(4-tert-butylcyclohexa-1,3-dien-1-yl)-11-N-(4-tert-butylphenyl)-14-(3-fluorophenyl)-11-N,17-N-bis(5-methyl-2-pyridinyl)-14-phenyl-3,21-dioxahexacyclo[11.10.0.02,10.04,9.015,23.018,22]tricosa-1,4,6,8,10,12,15,17,19,22-decaene-11,17-diamine
CID 139355016
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(4-trimethylsilylphenyl)fluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 140775776
7-[4-[bis(4-tert-butylphenyl)-methylsilyl]phenyl]-5-N,9-N,7-tris(4-tert-butylphenyl)-5-N,9-N-diphenylfluoreno[4,3-b][1]benzofuran-5,9-diamine
CID 163567021

Frequently Asked Questions

What is the IUPAC name of N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine?
The IUPAC name of N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine (CID 129130297) is N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine.
What is the SMILES notation for N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine?
The canonical SMILES for N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine is Cc1cnc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4oc5ccccc5c24)-c2ccccc2C3(c2cccc(F)c2)c2cccc(F)c2)c(-c2ccccc2)c1.
What is the InChIKey of N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine?
The InChIKey is LSDJZXQWJNICGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40F2N2O/c1-33-28-43(34-14-6-5-7-15-34)51(56-32-33)57(40-26-24-35(25-27-40)52(2,3)4)46-31-45-48(50-49(46)42-21-9-11-23-47(42)58-50)41-20-8-10-22-44(41)53(45,36-16-12-18-38(54)29-36)37-17-13-19-39(55)30-37/h5-32H,1-4H3.
What are the key properties of N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine?
N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine has a molecular weight of 758.91 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7-bis(3-fluorophenyl)fluoreno[4,3-b][1]benzofuran-5-yl]-N-(4-tert-butylphenyl)-5-methyl-3-phenylpyridin-2-amine is sourced from PubChem (CID 129130297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).