2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine

C58H44N4 — CID 134266117

IUPAC2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine
SMILESCC(C)(C)c1cc2n(n1)C1(c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc31)c1ccccc1-2
InChIInChI=1S/C58H44N4/c1-57(2,3)56-38-55-49-28-14-15-29-50(49)58(62(55)59-56)51-36-43(60(41-22-6-4-7-23-41)53-30-16-20-39-18-10-12-26-45(39)53)32-34-47(51)48-35-33-44(37-52(48)58)61(42-24-8-5-9-25-42)54-31-17-21-40-19-11-13-27-46(40)54/h4-38H,1-3H3
InChIKeyXSOMVTCHDRVCEU-UHFFFAOYSA-N
MW797.02 g/mol
LogP15.23
Rot. Bonds6

About 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine

2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine (PubChem CID 134266117) has the molecular formula C58H44N4 and a molecular weight of 797.02 g/mol. Its IUPAC name is 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine.

Molecular Properties

Compound Name2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine
PubChem CID134266117
Molecular FormulaC58H44N4
Molecular Weight797.02 g/mol
Exact Mass796.36
IUPAC Name2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine
SMILESCC(C)(C)c1cc2n(n1)C1(c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc31)c1ccccc1-2
InChIInChI=1S/C58H44N4/c1-57(2,3)56-38-55-49-28-14-15-29-50(49)58(62(55)59-56)51-36-43(60(41-22-6-4-7-23-41)53-30-16-20-39-18-10-12-26-45(39)53)32-34-47(51)48-35-33-44(37-52(48)58)61(42-24-8-5-9-25-42)54-31-17-21-40-19-11-13-27-46(40)54/h4-38H,1-3H3
InChIKeyXSOMVTCHDRVCEU-UHFFFAOYSA-N
XLogP15.23
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.02
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
9,9-dimethyl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenylfluoren-2-amine
CID 176611486
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 58672348
7'-chloro-N-naphthalen-1-yl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 165158317

Frequently Asked Questions

What is the IUPAC name of 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine?
The IUPAC name of 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine (CID 134266117) is 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine.
What is the SMILES notation for 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine?
The canonical SMILES for 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine is CC(C)(C)c1cc2n(n1)C1(c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc31)c1ccccc1-2.
What is the InChIKey of 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine?
The InChIKey is XSOMVTCHDRVCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N4/c1-57(2,3)56-38-55-49-28-14-15-29-50(49)58(62(55)59-56)51-36-43(60(41-22-6-4-7-23-41)53-30-16-20-39-18-10-12-26-45(39)53)32-34-47(51)48-35-33-44(37-52(48)58)61(42-24-8-5-9-25-42)54-31-17-21-40-19-11-13-27-46(40)54/h4-38H,1-3H3.
What are the key properties of 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine?
2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine has a molecular weight of 797.02 g/mol, XLogP of 15.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-tert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylspiro[fluorene-9,5'-pyrazolo[5,1-a]isoindole]-2,7-diamine is sourced from PubChem (CID 134266117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).