N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine

C67H51NS — CID 169030041

IUPACN-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)sc1cc(-c2cccc4c(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cccc24)ccc13
InChIInChI=1S/C67H51NS/c1-65(2)37-38-66(3,4)59-41-63-54(40-58(59)65)52-36-33-44(39-62(52)69-63)46-22-14-24-51-47(46)23-15-29-60(51)68(45-34-31-43(32-35-45)42-17-6-5-7-18-42)61-30-16-25-53-50-21-10-13-28-57(50)67(64(53)61)55-26-11-8-19-48(55)49-20-9-12-27-56(49)67/h5-36,39-41H,37-38H2,1-4H3
InChIKeyGFTDIIBCMBGNBQ-UHFFFAOYSA-N
MW902.22 g/mol
LogP18.70
Rot. Bonds5

About N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine

N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine (PubChem CID 169030041) has the molecular formula C67H51NS and a molecular weight of 902.22 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine
PubChem CID169030041
Molecular FormulaC67H51NS
Molecular Weight902.22 g/mol
Exact Mass901.37
IUPAC NameN-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)sc1cc(-c2cccc4c(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cccc24)ccc13
InChIInChI=1S/C67H51NS/c1-65(2)37-38-66(3,4)59-41-63-54(40-58(59)65)52-36-33-44(39-62(52)69-63)46-22-14-24-51-47(46)23-15-29-60(51)68(45-34-31-43(32-35-45)42-17-6-5-7-18-42)61-30-16-25-53-50-21-10-13-28-57(50)67(64(53)61)55-26-11-8-19-48(55)49-20-9-12-27-56(49)67/h5-36,39-41H,37-38H2,1-4H3
InChIKeyGFTDIIBCMBGNBQ-UHFFFAOYSA-N
XLogP18.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.22
LogP ≤ 518.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine with MolForge

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Related Compounds

9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-1-amine
CID 167260563
N-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308649
N-[4-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308420
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-5-(6,6,9,9-tetramethyl-11,11-diphenyl-7,8-dihydrobenzo[b]fluoren-2-yl)naphthalen-1-amine
CID 169029985
N-(4-phenylphenyl)-N-[5-(1,1,3,3-tetramethyl-2H-indeno[5,6-b][1]benzothiol-6-yl)naphthalen-1-yl]dibenzofuran-2-amine
CID 169030142
N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308426
N-(3-dibenzothiophen-2-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308639
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177911
N-(4-dibenzothiophen-3-ylphenyl)-3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-N-phenylaniline
CID 167177532
9,9-dimethyl-N-phenyl-N-(3-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzothiole]-1-ylphenyl)fluoren-2-amine
CID 130380178
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463372
N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine (CID 169030041) is N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine is CC1(C)CCC(C)(C)c2cc3c(cc21)sc1cc(-c2cccc4c(N(c5ccc(-c6ccccc6)cc5)c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cccc24)ccc13.
What is the InChIKey of N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine?
The InChIKey is GFTDIIBCMBGNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H51NS/c1-65(2)37-38-66(3,4)59-41-63-54(40-58(59)65)52-36-33-44(39-62(52)69-63)46-22-14-24-51-47(46)23-15-29-60(51)68(45-34-31-43(32-35-45)42-17-6-5-7-18-42)61-30-16-25-53-50-21-10-13-28-57(50)67(64(53)61)55-26-11-8-19-48(55)49-20-9-12-27-56(49)67/h5-36,39-41H,37-38H2,1-4H3.
What are the key properties of N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine?
N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine has a molecular weight of 902.22 g/mol, XLogP of 18.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[5-(7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiol-3-yl)naphthalen-1-yl]-9,9'-spirobi[fluorene]-1-amine is sourced from PubChem (CID 169030041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).