N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine

C46H30N2S — CID 170041989

IUPACN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C46H30N2S/c1-3-12-34(13-4-1)47(41-19-11-20-42-46(41)38-16-7-9-18-40(38)48(42)35-14-5-2-6-15-35)36-26-22-31(23-27-36)32-24-28-37-33(30-32)25-29-44-45(37)39-17-8-10-21-43(39)49-44/h1-30H
InChIKeyNJGSULNYBKEQDP-UHFFFAOYSA-N
MW642.83 g/mol
LogP13.44
Rot. Bonds5

About N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine

N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine (PubChem CID 170041989) has the molecular formula C46H30N2S and a molecular weight of 642.83 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
PubChem CID170041989
Molecular FormulaC46H30N2S
Molecular Weight642.83 g/mol
Exact Mass642.21
IUPAC NameN-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C46H30N2S/c1-3-12-34(13-4-1)47(41-19-11-20-42-46(41)38-16-7-9-18-40(38)48(42)35-14-5-2-6-15-35)36-26-22-31(23-27-36)32-24-28-37-33(30-32)25-29-44-45(37)39-17-8-10-21-43(39)49-44/h1-30H
InChIKeyNJGSULNYBKEQDP-UHFFFAOYSA-N
XLogP13.44
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042092
N-naphtho[2,1-b][1]benzothiol-10-yl-N-(7-phenylnaphthalen-2-yl)-9-(3-phenylphenyl)carbazol-4-amine
CID 163617976
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-4-amine
CID 174257716
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-4-amine
CID 170041410
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzothiol-3-amine
CID 170039707
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 170040172
N-dibenzothiophen-1-yl-9-phenyl-N-(9-phenylcarbazol-4-yl)carbazol-2-amine
CID 170286393
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-3-amine
CID 160770802
4-N-naphtho[2,1-b][1]benzothiol-11-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165032934

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine (CID 170041989) is N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine is c1ccc(N(c2ccc(-c3ccc4c(ccc5sc6ccccc6c54)c3)cc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine?
The InChIKey is NJGSULNYBKEQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2S/c1-3-12-34(13-4-1)47(41-19-11-20-42-46(41)38-16-7-9-18-40(38)48(42)35-14-5-2-6-15-35)36-26-22-31(23-27-36)32-24-28-37-33(30-32)25-29-44-45(37)39-17-8-10-21-43(39)49-44/h1-30H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine?
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine has a molecular weight of 642.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-N,9-diphenylcarbazol-4-amine is sourced from PubChem (CID 170041989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).