N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine

C58H43N — CID 145331604

IUPACN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43C4=C(C=CCC4)c4c(-c5ccccc5)cccc43)cc21
InChIInChI=1S/C58H43N/c1-57(2)50-27-12-9-23-45(50)47-33-31-43(37-55(47)57)59(41-22-15-21-40(35-41)38-17-5-3-6-18-38)42-32-34-53-49(36-42)46-24-10-13-28-51(46)58(53)52-29-14-11-25-48(52)56-44(26-16-30-54(56)58)39-19-7-4-8-20-39/h3-13,15-28,30-37H,14,29H2,1-2H3
InChIKeyZSAVGWUIBLGTGO-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.23
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine

N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine (PubChem CID 145331604) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
PubChem CID145331604
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43C4=C(C=CCC4)c4c(-c5ccccc5)cccc43)cc21
InChIInChI=1S/C58H43N/c1-57(2)50-27-12-9-23-45(50)47-33-31-43(37-55(47)57)59(41-22-15-21-40(35-41)38-17-5-3-6-18-38)42-32-34-53-49(36-42)46-24-10-13-28-51(46)58(53)52-29-14-11-25-48(52)56-44(26-16-30-54(56)58)39-19-7-4-8-20-39/h3-13,15-28,30-37H,14,29H2,1-2H3
InChIKeyZSAVGWUIBLGTGO-UHFFFAOYSA-N
XLogP15.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529192
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
N-(9,9-dimethylfluoren-3-yl)-N-[3-[3-(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 134508270
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
5-[4'-[3,5-bis(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(9,9-dimethylfluoren-3-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 121361265
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,8,10,12,15,17-octaene]-4-ylphenyl)fluoren-2-amine
CID 121391863
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316
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
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,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine (CID 145331604) is N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)-c3ccccc3C43C4=C(C=CCC4)c4c(-c5ccccc5)cccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
The InChIKey is ZSAVGWUIBLGTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)50-27-12-9-23-45(50)47-33-31-43(37-55(47)57)59(41-22-15-21-40(35-41)38-17-5-3-6-18-38)42-32-34-53-49(36-42)46-24-10-13-28-51(46)58(53)52-29-14-11-25-48(52)56-44(26-16-30-54(56)58)39-19-7-4-8-20-39/h3-13,15-28,30-37H,14,29H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine?
N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine has a molecular weight of 753.99 g/mol, XLogP of 15.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-5-phenyl-N-(3-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3'-amine is sourced from PubChem (CID 145331604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).