9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

C53H44N2 — CID 139762405

IUPAC9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCc1ccc(C2(c3ccc(C)cc3C)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)c(C)c1
InChIInChI=1S/C53H44N2/c1-37-25-31-49(39(3)33-37)53(50-32-26-38(2)34-40(50)4)51-35-45(54(41-17-9-5-10-18-41)42-19-11-6-12-20-42)27-29-47(51)48-30-28-46(36-52(48)53)55(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-36H,1-4H3
InChIKeyVSMGLNKDOZVMPR-UHFFFAOYSA-N
MW708.95 g/mol
LogP14.22
Rot. Bonds8

About 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine

9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (PubChem CID 139762405) has the molecular formula C53H44N2 and a molecular weight of 708.95 g/mol. Its IUPAC name is 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
PubChem CID139762405
Molecular FormulaC53H44N2
Molecular Weight708.95 g/mol
Exact Mass708.35
IUPAC Name9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine
SMILESCc1ccc(C2(c3ccc(C)cc3C)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)c(C)c1
InChIInChI=1S/C53H44N2/c1-37-25-31-49(39(3)33-37)53(50-32-26-38(2)34-40(50)4)51-35-45(54(41-17-9-5-10-18-41)42-19-11-6-12-20-42)27-29-47(51)48-30-28-46(36-52(48)53)55(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-36H,1-4H3
InChIKeyVSMGLNKDOZVMPR-UHFFFAOYSA-N
XLogP14.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-methyl-N-[4-[4-(3-methyl-N-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)anilino)phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 89334238
2-methyl-N-[9-(3-methylphenyl)-9-phenylfluoren-2-yl]-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067341
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632
6,7-dimethyl-N,N,9,9-tetraphenylfluoren-2-amine
CID 170091409
iodobenzene;2-methyl-9,9'-spirobi[fluorene]-2'-amine;2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 157064836
2',7'-dimethyl-2-N,2-N,7-N,7-N-tetraphenylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2,7-diamine
CID 70809697
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203
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 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The IUPAC name of 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine (CID 139762405) is 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine.
What is the SMILES notation for 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The canonical SMILES for 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is Cc1ccc(C2(c3ccc(C)cc3C)c3cc(N(c4ccccc4)c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccccc4)cc32)c(C)c1.
What is the InChIKey of 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
The InChIKey is VSMGLNKDOZVMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2/c1-37-25-31-49(39(3)33-37)53(50-32-26-38(2)34-40(50)4)51-35-45(54(41-17-9-5-10-18-41)42-19-11-6-12-20-42)27-29-47(51)48-30-28-46(36-52(48)53)55(43-21-13-7-14-22-43)44-23-15-8-16-24-44/h5-36H,1-4H3.
What are the key properties of 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine?
9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine has a molecular weight of 708.95 g/mol, XLogP of 14.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(2,4-dimethylphenyl)-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine is sourced from PubChem (CID 139762405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).