N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

C55H43N — CID 170243434

IUPACN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)C3CC=CC=C43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C55H43N/c1-53(2)43-21-10-5-16-36(43)40-30-28-34(32-49(40)53)56(35-29-31-41-37-17-6-11-22-44(37)54(3,4)50(41)33-35)51-27-15-26-48-52(51)42-20-9-14-25-47(42)55(48)45-23-12-7-18-38(45)39-19-8-13-24-46(39)55/h5-21,23-33,44H,22H2,1-4H3
InChIKeySWQMQWPYAKASOQ-UHFFFAOYSA-N
MW717.96 g/mol
LogP14.06
Rot. Bonds3

About N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 170243434) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID170243434
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC NameN-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)C3CC=CC=C43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C55H43N/c1-53(2)43-21-10-5-16-36(43)40-30-28-34(32-49(40)53)56(35-29-31-41-37-17-6-11-22-44(37)54(3,4)50(41)33-35)51-27-15-26-48-52(51)42-20-9-14-25-47(42)55(48)45-23-12-7-18-38(45)39-19-8-13-24-46(39)55/h5-21,23-33,44H,22H2,1-4H3
InChIKeySWQMQWPYAKASOQ-UHFFFAOYSA-N
XLogP14.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4'-bromo-N-(9,9-dimethylfluoren-2-yl)-N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 155129994
2-N,5-N-bis(9,9-dimethylfluoren-2-yl)-2-N,5-N-diphenyl-9,9'-spirobi[fluorene]-2,5-diamine
CID 137448787
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 170216886
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-amine
CID 142480849
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9'-spirobi[fluorene]-4-amine
CID 121423710
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-3-amine
CID 121423487
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 129267147
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
N,N-bis(9,9-dimethylfluoren-2-yl)spiro[3,4-dihydrofluorene-9,9'-fluorene]-4'-amine
CID 162362975

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (CID 170243434) is N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)C3CC=CC=C43)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is SWQMQWPYAKASOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-53(2)43-21-10-5-16-36(43)40-30-28-34(32-49(40)53)56(35-29-31-41-37-17-6-11-22-44(37)54(3,4)50(41)33-35)51-27-15-26-48-52(51)42-20-9-14-25-47(42)55(48)45-23-12-7-18-38(45)39-19-8-13-24-46(39)55/h5-21,23-33,44H,22H2,1-4H3.
What are the key properties of N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 717.96 g/mol, XLogP of 14.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethyl-8,8a-dihydrofluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 170243434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).