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

C52H42F6N2 — CID 88954286

IUPAC5,6,11,11,12,12-hexamethyl-2-N,9-N-diphenyl-2-N,9-N-bis[4-(trifluoromethyl)phenyl]indeno[2,1-a]fluorene-2,9-diamine
SMILESCc1c(C)c2c(c3c1-c1ccc(N(c4ccccc4)c4ccc(C(F)(F)F)cc4)cc1C3(C)C)C(C)(C)c1cc(N(c3ccccc3)c3ccc(C(F)(F)F)cc3)ccc1-2
InChIInChI=1S/C52H42F6N2/c1-31-32(2)46-42-28-26-40(60(36-15-11-8-12-16-36)38-23-19-34(20-24-38)52(56,57)58)30-44(42)50(5,6)48(46)47-45(31)41-27-25-39(29-43(41)49(47,3)4)59(35-13-9-7-10-14-35)37-21-17-33(18-22-37)51(53,54)55/h7-30H,1-6H3
InChIKeyKAEGKJGPQCMKNP-UHFFFAOYSA-N
MW808.91 g/mol
LogP15.89
Rot. Bonds6

About 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

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 (PubChem CID 88954286) has the molecular formula C52H42F6N2 and a molecular weight of 808.91 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,6,11,11,12,12-hexamethyl-2-N,9-N-diphenyl-2-N,9-N-bis[4-(trifluoromethyl)phenyl]indeno[2,1-a]fluorene-2,9-diamine
PubChem CID88954286
Molecular FormulaC52H42F6N2
Molecular Weight808.91 g/mol
Exact Mass808.33
IUPAC Name5,6,11,11,12,12-hexamethyl-2-N,9-N-diphenyl-2-N,9-N-bis[4-(trifluoromethyl)phenyl]indeno[2,1-a]fluorene-2,9-diamine
SMILESCc1c(C)c2c(c3c1-c1ccc(N(c4ccccc4)c4ccc(C(F)(F)F)cc4)cc1C3(C)C)C(C)(C)c1cc(N(c3ccccc3)c3ccc(C(F)(F)F)cc3)ccc1-2
InChIInChI=1S/C52H42F6N2/c1-31-32(2)46-42-28-26-40(60(36-15-11-8-12-16-36)38-23-19-34(20-24-38)52(56,57)58)30-44(42)50(5,6)48(46)47-45(31)41-27-25-39(29-43(41)49(47,3)4)59(35-13-9-7-10-14-35)37-21-17-33(18-22-37)51(53,54)55/h7-30H,1-6H3
InChIKeyKAEGKJGPQCMKNP-UHFFFAOYSA-N
XLogP15.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.91
LogP ≤ 515.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

3,3,24,24-tetramethyl-6-N,21-N-diphenyl-6-N,21-N-bis(4-phenylphenyl)hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene-6,21-diamine
CID 59182237
5-tert-butyl-11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetraphenylindeno[2,1-a]fluorene-2,9-diamine
CID 58232518
21,21-dimethyl-N,N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 155298572
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232307
4-methyl-N-phenyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 162147514
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]propan-2-yl]phenyl]fluoren-2-amine
CID 168810581
2-N,7-N-diphenyl-2-N,7-N-bis[4-(trifluoromethyl)phenyl]spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-2,7-diamine
CID 126712671
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
N-[3-[2-[4-[2-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 143493158
5-N,18-N-bis(4-fluorophenyl)-21,21-dimethyl-5-N,18-N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 88594481
11,11,12,12-tetramethyl-2-N,2-N,9-N,9-N-tetrakis(4-phenylphenyl)indeno[2,1-a]fluorene-2,9-diamine
CID 89308295
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C)c2c(c3c1-c1ccc(N(c4ccccc4)c4ccc(C(F)(F)F)cc4)cc1C3(C)C)C(C)(C)c1cc(N(c3ccccc3)c3ccc(C(F)(F)F)cc3)ccc1-2.
What is the InChIKey of 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?
The InChIKey is KAEGKJGPQCMKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42F6N2/c1-31-32(2)46-42-28-26-40(60(36-15-11-8-12-16-36)38-23-19-34(20-24-38)52(56,57)58)30-44(42)50(5,6)48(46)47-45(31)41-27-25-39(29-43(41)49(47,3)4)59(35-13-9-7-10-14-35)37-21-17-33(18-22-37)51(53,54)55/h7-30H,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 808.91 g/mol, XLogP of 15.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 88954286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).