6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine

C52H48N2 — CID 59800971

IUPAC6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-4)cc1
InChIInChI=1S/C52H48N2/c1-33-9-17-37(18-10-33)53(38-19-11-34(2)12-20-38)41-25-27-43-45-31-50-46(32-49(45)51(5,6)47(43)29-41)44-28-26-42(30-48(44)52(50,7)8)54(39-21-13-35(3)14-22-39)40-23-15-36(4)16-24-40/h9-32H,1-8H3
InChIKeySFIHJSXZPFTEMP-UHFFFAOYSA-N
MW700.97 g/mol
LogP14.47
Rot. Bonds6

About 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine

6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine (PubChem CID 59800971) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
PubChem CID59800971
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC Name6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-4)cc1
InChIInChI=1S/C52H48N2/c1-33-9-17-37(18-10-33)53(38-19-11-34(2)12-20-38)41-25-27-43-45-31-50-46(32-49(45)51(5,6)47(43)29-41)44-28-26-42(30-48(44)52(50,7)8)54(39-21-13-35(3)14-22-39)40-23-15-36(4)16-24-40/h9-32H,1-8H3
InChIKeySFIHJSXZPFTEMP-UHFFFAOYSA-N
XLogP14.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
6-methoxy-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 137436609
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)-2-N,7-N-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 58883902
6,6,12,12-tetramethyl-N,N-bis(4-methylphenyl)-10-phenylindeno[1,2-b]fluoren-2-amine
CID 138455846
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 59510924
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
9,9-diethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine;bis(9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-methylphenyl)fluorene-2,7-diamine);2-N,2-N,7-N,7-N-tetrakis(4-ethylphenyl)-9,9-dimethylfluorene-2,7-diamine
CID 160966988
2-N,2-N,2-N',2-N',7-N',7-N'-hexakis(4-methylphenyl)-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 138571645

Frequently Asked Questions

What is the IUPAC name of 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 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) is 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)C(C)(C)c2cc(N(c3ccc(C)cc3)c3ccc(C)cc3)ccc2-4)cc1.
What is the InChIKey of 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is SFIHJSXZPFTEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-33-9-17-37(18-10-33)53(38-19-11-34(2)12-20-38)41-25-27-43-45-31-50-46(32-49(45)51(5,6)47(43)29-41)44-28-26-42(30-48(44)52(50,7)8)54(39-21-13-35(3)14-22-39)40-23-15-36(4)16-24-40/h9-32H,1-8H3.
What are the key properties of 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine?
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 700.97 g/mol, XLogP of 14.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 59800971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).