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

C58H60N2 — CID 58232252

IUPAC2-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
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc(C)c2-4)cc1C
InChIInChI=1S/C58H60N2/c1-33-15-19-43(23-37(33)5)59(44-20-16-34(2)38(6)24-44)47-27-41(9)55-49-31-52-50(32-51(49)57(11,12)53(55)29-47)56-42(10)28-48(30-54(56)58(52,13)14)60(45-21-17-35(3)39(7)25-45)46-22-18-36(4)40(8)26-46/h15-32H,1-14H3
InChIKeySJKRKCUAROSGNL-UHFFFAOYSA-N
MW785.13 g/mol
LogP16.32
Rot. Bonds6

About 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

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 (PubChem CID 58232252) has the molecular formula C58H60N2 and a molecular weight of 785.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID58232252
Molecular FormulaC58H60N2
Molecular Weight785.13 g/mol
Exact Mass784.48
IUPAC Name2-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
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc(C)c2-4)cc1C
InChIInChI=1S/C58H60N2/c1-33-15-19-43(23-37(33)5)59(44-20-16-34(2)38(6)24-44)47-27-41(9)55-49-31-52-50(32-51(49)57(11,12)53(55)29-47)56-42(10)28-48(30-54(56)58(52,13)14)60(45-21-17-35(3)39(7)25-45)46-22-18-36(4)40(8)26-46/h15-32H,1-14H3
InChIKeySJKRKCUAROSGNL-UHFFFAOYSA-N
XLogP16.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.13
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
4,6,6,10,12,12-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
1-N,1-N,5-N,5-N-tetraphenyl-3-N-(4-phenylphenyl)-3-N-(5,7,9,9-tetramethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117455
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
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
5-N,5-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.03,8.09,14.019,31.020,29.021,26]dotriaconta-1(32),2,4,6,8,10,12,14,17,19(31),20(29),21,23,25,27-pentadecaene-5,12-diamine
CID 58261487
11-N',11-N',17-N',17-N'-tetrakis(3,4-dimethylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262272
4-(N-[2-(N-(4-cyanophenyl)-4-methylanilino)-4,6,6,10,12,12-hexamethyl-8,9-dihydroindeno[1,2-b]fluoren-8-yl]-4-methylanilino)benzonitrile
CID 143896101
6,6,12,12-tetramethyl-2-N,2-N,4-N,4-N-tetrakis(4-phenylphenyl)indeno[1,2-b]fluorene-2,4-diamine
CID 138462000
N-(3,4-dimethylphenyl)-3,4-dimethyl-N-(4-methylphenyl)aniline;ethane
CID 143481987
N-[4-[4-[bis(9,9-dimethylfluoren-2-yl)amino]phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N,4-N,4-N-tetrakis(9,9-dimethylfluoren-2-yl)-2-methylbenzene-1,4-diamine
CID 158320623

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc(C)c(C)c2)c2cc(C)c3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C)c(C)c3)c3ccc(C)c(C)c3)cc(C)c2-4)cc1C.
What is the InChIKey of 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?
The InChIKey is SJKRKCUAROSGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60N2/c1-33-15-19-43(23-37(33)5)59(44-20-16-34(2)38(6)24-44)47-27-41(9)55-49-31-52-50(32-51(49)57(11,12)53(55)29-47)56-42(10)28-48(30-54(56)58(52,13)14)60(45-21-17-35(3)39(7)25-45)46-22-18-36(4)40(8)26-46/h15-32H,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 785.13 g/mol, XLogP of 16.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58232252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).