N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C62H43N — CID 170372874

IUPACN-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C62H43N/c1-61(2)55-36-34-44(37-53(55)54-39-52(42-19-7-4-8-20-42)46-21-9-10-25-51(46)60(54)61)63(43-31-29-41(30-32-43)40-17-5-3-6-18-40)45-33-35-50-49-24-13-16-28-58(49)62(59(50)38-45)56-26-14-11-22-47(56)48-23-12-15-27-57(48)62/h3-39H,1-2H3
InChIKeySJAKGZXUNWYVHU-UHFFFAOYSA-N
MW802.03 g/mol
LogP16.29
Rot. Bonds5

About N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 170372874) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID170372874
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2cc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/C62H43N/c1-61(2)55-36-34-44(37-53(55)54-39-52(42-19-7-4-8-20-42)46-21-9-10-25-51(46)60(54)61)63(43-31-29-41(30-32-43)40-17-5-3-6-18-40)45-33-35-50-49-24-13-16-28-58(49)62(59(50)38-45)56-26-14-11-22-47(56)48-23-12-15-27-57(48)62/h3-39H,1-2H3
InChIKeySJAKGZXUNWYVHU-UHFFFAOYSA-N
XLogP16.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 516.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-9-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170372753
11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]benzo[a]fluoren-8-amine
CID 170372841
N-(9,9-dimethylfluoren-3-yl)-N,3-diphenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168811963
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
4-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 138667384
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-5-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170372918
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N,5-bis(4-phenylphenyl)benzo[a]fluoren-7-amine
CID 170373587
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N-(9,9-dimethylfluoren-2-yl)-2-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298482

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 170372874) is N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2-c2cc(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is SJAKGZXUNWYVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-61(2)55-36-34-44(37-53(55)54-39-52(42-19-7-4-8-20-42)46-21-9-10-25-51(46)60(54)61)63(43-31-29-41(30-32-43)40-17-5-3-6-18-40)45-33-35-50-49-24-13-16-28-58(49)62(59(50)38-45)56-26-14-11-22-47(56)48-23-12-15-27-57(48)62/h3-39H,1-2H3.
What are the key properties of N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 802.03 g/mol, XLogP of 16.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethyl-5-phenylbenzo[a]fluoren-8-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 170372874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).