N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine

C47H31NS — CID 177121667

IUPACN-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4cccc(-c5cccc6c5sc5c7ccccc7ccc65)c4)ccc32)cc1
InChIInChI=1S/C47H31NS/c1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)43-24-10-9-21-39(43)42-30-36(26-28-44(42)47)48-35-19-11-14-32(29-35)38-22-12-23-40-41-27-25-31-13-7-8-20-37(31)45(41)49-46(38)40/h1-30,48H
InChIKeyNCWOIIKOASHCNP-UHFFFAOYSA-N
MW641.84 g/mol
LogP12.98
Rot. Bonds5

About N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine

N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine (PubChem CID 177121667) has the molecular formula C47H31NS and a molecular weight of 641.84 g/mol. Its IUPAC name is N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine.

Molecular Properties

Compound NameN-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
PubChem CID177121667
Molecular FormulaC47H31NS
Molecular Weight641.84 g/mol
Exact Mass641.22
IUPAC NameN-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4cccc(-c5cccc6c5sc5c7ccccc7ccc65)c4)ccc32)cc1
InChIInChI=1S/C47H31NS/c1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)43-24-10-9-21-39(43)42-30-36(26-28-44(42)47)48-35-19-11-14-32(29-35)38-22-12-23-40-41-27-25-31-13-7-8-20-37(31)45(41)49-46(38)40/h1-30,48H
InChIKeyNCWOIIKOASHCNP-UHFFFAOYSA-N
XLogP12.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.84
LogP ≤ 512.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9,9-diphenylfluoren-4-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122049
N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-2-amine
CID 177121851
N-[2-(9,9-diphenylfluoren-2-yl)phenyl]-N-naphtho[1,2-b][1]benzothiol-10-ylnaphtho[1,2-b][1]benzothiol-10-amine
CID 177121427
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
CID 66656896
2-(9,9-diphenylfluoren-3-yl)-N-[4-(4-methoxyphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121581
N-(3-dibenzofuran-3-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121900
4-(9,9-dimethylfluoren-2-yl)-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)aniline
CID 177121677
N-(9,9-diphenylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)fluoren-3-amine
CID 177122205
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-3-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024913
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-diphenylfluoren-3-yl)phenyl]naphtho[1,2-b][1]benzothiol-10-amine
CID 177122075

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine?
The IUPAC name of N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine (CID 177121667) is N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine.
What is the SMILES notation for N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine?
The canonical SMILES for N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(Nc4cccc(-c5cccc6c5sc5c7ccccc7ccc65)c4)ccc32)cc1.
What is the InChIKey of N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine?
The InChIKey is NCWOIIKOASHCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31NS/c1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)43-24-10-9-21-39(43)42-30-36(26-28-44(42)47)48-35-19-11-14-32(29-35)38-22-12-23-40-41-27-25-31-13-7-8-20-37(31)45(41)49-46(38)40/h1-30,48H.
What are the key properties of N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine?
N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine has a molecular weight of 641.84 g/mol, XLogP of 12.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-9,9-diphenylfluoren-3-amine is sourced from PubChem (CID 177121667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).