2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine

C55H51N — CID 156556780

IUPAC2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1cccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C55H51N/c1-34-16-14-17-37(30-34)56(50-23-15-22-46-51(50)43-19-11-12-20-44(43)54(46,8)9)38-26-29-42-39-18-10-13-21-45(39)55(49(42)33-38)47-31-35(52(2,3)4)24-27-40(47)41-28-25-36(32-48(41)55)53(5,6)7/h10-33H,1-9H3
InChIKeyLZBRLWQZKIHEIV-UHFFFAOYSA-N
MW726.02 g/mol
LogP14.71
Rot. Bonds3

About 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 156556780) has the molecular formula C55H51N and a molecular weight of 726.02 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID156556780
Molecular FormulaC55H51N
Molecular Weight726.02 g/mol
Exact Mass725.40
IUPAC Name2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCc1cccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2-c2ccccc2C3(C)C)c1
InChIInChI=1S/C55H51N/c1-34-16-14-17-37(30-34)56(50-23-15-22-46-51(50)43-19-11-12-20-44(43)54(46,8)9)38-26-29-42-39-18-10-13-21-45(39)55(49(42)33-38)47-31-35(52(2,3)4)24-27-40(47)41-28-25-36(32-48(41)55)53(5,6)7/h10-33H,1-9H3
InChIKeyLZBRLWQZKIHEIV-UHFFFAOYSA-N
XLogP14.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.02
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 153307449
2-N',7-N'-bis(4-tert-butylphenyl)-2-N',7-N'-bis(3-methylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 153485901
N-(9,9-dimethylfluoren-4-yl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538707
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 156573360
N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 170144171
N-[4-(4-tert-butylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384797
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
2',7'-ditert-butyl-N-[2-(7-tert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170141214
1'-(4-tert-butylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 168750159
7-tert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(8-methylnaphthalen-1-yl)fluoren-2-amine
CID 174309727

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 156556780) is 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine is Cc1cccc(N(c2ccc3c(c2)C2(c4ccccc4-3)c3cc(C(C)(C)C)ccc3-c3ccc(C(C)(C)C)cc32)c2cccc3c2-c2ccccc2C3(C)C)c1.
What is the InChIKey of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is LZBRLWQZKIHEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51N/c1-34-16-14-17-37(30-34)56(50-23-15-22-46-51(50)43-19-11-12-20-44(43)54(46,8)9)38-26-29-42-39-18-10-13-21-45(39)55(49(42)33-38)47-31-35(52(2,3)4)24-27-40(47)41-28-25-36(32-48(41)55)53(5,6)7/h10-33H,1-9H3.
What are the key properties of 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine?
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 726.02 g/mol, XLogP of 14.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-(3-methylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 156556780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).