4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

C53H47F3N2 — CID 58232260

IUPAC4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1ccc(N(c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C(F)(F)F)cc3)c3ccccc3C)ccc2-4)c2ccccc2C)cc1
InChIInChI=1S/C53H47F3N2/c1-32-17-21-37(22-18-32)58(49-16-12-10-14-34(49)3)40-27-35(4)50-43-31-45-42(30-46(43)52(7,8)47(50)29-40)41-26-25-39(28-44(41)51(45,5)6)57(48-15-11-9-13-33(48)2)38-23-19-36(20-24-38)53(54,55)56/h9-31H,1-8H3
InChIKeyXYURPKXJERLHJD-UHFFFAOYSA-N
MW768.97 g/mol
LogP15.49
Rot. Bonds6

About 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine

4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 58232260) has the molecular formula C53H47F3N2 and a molecular weight of 768.97 g/mol. Its IUPAC name is 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
PubChem CID58232260
Molecular FormulaC53H47F3N2
Molecular Weight768.97 g/mol
Exact Mass768.37
IUPAC Name4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1ccc(N(c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C(F)(F)F)cc3)c3ccccc3C)ccc2-4)c2ccccc2C)cc1
InChIInChI=1S/C53H47F3N2/c1-32-17-21-37(22-18-32)58(49-16-12-10-14-34(49)3)40-27-35(4)50-43-31-45-42(30-46(43)52(7,8)47(50)29-40)41-26-25-39(28-44(41)51(45,5)6)57(48-15-11-9-13-33(48)2)38-23-19-36(20-24-38)53(54,55)56/h9-31H,1-8H3
InChIKeyXYURPKXJERLHJD-UHFFFAOYSA-N
XLogP15.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.97
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine with MolForge

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Related Compounds

4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 58232463
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 59800971
3-methyl-4-[2-methyl-4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]-N-(2-methylphenyl)-N-(4-methylphenyl)aniline
CID 20562857
N-(3,5-dimethylphenyl)-7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-2-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 89068057
12,12,22,22-tetramethyl-9-N,19-N-bis(2-methylphenyl)-9-N,19-N-bis(4-propan-2-ylphenyl)hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene-9,19-diamine
CID 171449195
2-N,2-N,8-N,8-N-tetrakis(3,4-dimethylphenyl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene-2,8-diamine
CID 58232252
4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[2-(2,4,6-trimethylphenyl)phenyl]fluoren-2-amine
CID 174308002
9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine
CID 163743757
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
5,6,11,11,12,12-hexamethyl-2-N,9-N-diphenyl-2-N,9-N-bis[4-(trifluoromethyl)phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 88954286
N-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 177080053

Frequently Asked Questions

What is the IUPAC name of 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine (CID 58232260) is 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is Cc1ccc(N(c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C(F)(F)F)cc3)c3ccccc3C)ccc2-4)c2ccccc2C)cc1.
What is the InChIKey of 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is XYURPKXJERLHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H47F3N2/c1-32-17-21-37(22-18-32)58(49-16-12-10-14-34(49)3)40-27-35(4)50-43-31-45-42(30-46(43)52(7,8)47(50)29-40)41-26-25-39(28-44(41)51(45,5)6)57(48-15-11-9-13-33(48)2)38-23-19-36(20-24-38)53(54,55)56/h9-31H,1-8H3.
What are the key properties of 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine?
4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 768.97 g/mol, XLogP of 15.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6,12,12-pentamethyl-2-N,8-N-bis(2-methylphenyl)-2-N-(4-methylphenyl)-8-N-[4-(trifluoromethyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 58232260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).