N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine

C57H35NS — CID 171444487

IUPACN-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccccc4c4c3sc3ccccc34)c21
InChIInChI=1S/C57H35NS/c1-2-15-38-34-39(29-28-36(38)14-1)37-30-32-41(33-31-37)58(52-35-40-16-3-4-17-42(40)54-47-21-8-12-27-53(47)59-56(52)54)51-26-13-22-46-45-20-7-11-25-50(45)57(55(46)51)48-23-9-5-18-43(48)44-19-6-10-24-49(44)57/h1-35H
InChIKeyGLWWZWBRJGZLTR-UHFFFAOYSA-N
MW765.98 g/mol
LogP15.84
Rot. Bonds4

About N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine

N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine (PubChem CID 171444487) has the molecular formula C57H35NS and a molecular weight of 765.98 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine
PubChem CID171444487
Molecular FormulaC57H35NS
Molecular Weight765.98 g/mol
Exact Mass765.25
IUPAC NameN-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccccc4c4c3sc3ccccc34)c21
InChIInChI=1S/C57H35NS/c1-2-15-38-34-39(29-28-36(38)14-1)37-30-32-41(33-31-37)58(52-35-40-16-3-4-17-42(40)54-47-21-8-12-27-53(47)59-56(52)54)51-26-13-22-46-45-20-7-11-25-50(45)57(55(46)51)48-23-9-5-18-43(48)44-19-6-10-24-49(44)57/h1-35H
InChIKeyGLWWZWBRJGZLTR-UHFFFAOYSA-N
XLogP15.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.98
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444423
N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730497
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-4-amine
CID 166566059
N-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 172544905
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenyldibenzothiophen-1-amine
CID 168847778
N-[3-(9,9-diphenylfluoren-2-yl)phenyl]-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-phenyldibenzothiophen-1-amine
CID 168847943
N-(4-naphthalen-1-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzothiol-6-amine
CID 170037916
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 165010154
N-dibenzothiophen-4-yl-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444444
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 137392661
N-[9,9-bis(2,4,6-trimethylphenyl)fluoren-2-yl]-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 177113905
N-(9,9-dimethylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzothiophen-4-amine
CID 172544925

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine (CID 171444487) is N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cc4ccccc4c4c3sc3ccccc34)c21.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine?
The InChIKey is GLWWZWBRJGZLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35NS/c1-2-15-38-34-39(29-28-36(38)14-1)37-30-32-41(33-31-37)58(52-35-40-16-3-4-17-42(40)54-47-21-8-12-27-53(47)59-56(52)54)51-26-13-22-46-45-20-7-11-25-50(45)57(55(46)51)48-23-9-5-18-43(48)44-19-6-10-24-49(44)57/h1-35H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine?
N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine has a molecular weight of 765.98 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)naphtho[2,1-b][1]benzothiol-6-amine is sourced from PubChem (CID 171444487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).