N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

C56H36N2S — CID 169285540

IUPACN-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4cccc(N(c5ccc6c(c5)sc5ccc7ccccc7c56)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c23)cc1
InChIInChI=1S/C56H36N2S/c1-3-14-37(15-4-1)45-25-12-17-39-18-13-26-47(55(39)45)40-19-11-22-42(34-40)57(44-30-32-50-54(36-44)59-53-33-28-38-16-7-8-23-46(38)56(50)53)43-29-31-49-48-24-9-10-27-51(48)58(52(49)35-43)41-20-5-2-6-21-41/h1-36H
InChIKeyYEVXJXWARMSVIS-UHFFFAOYSA-N
MW768.99 g/mol
LogP16.26
Rot. Bonds6

About N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine

N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (PubChem CID 169285540) has the molecular formula C56H36N2S and a molecular weight of 768.99 g/mol. Its IUPAC name is N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
PubChem CID169285540
Molecular FormulaC56H36N2S
Molecular Weight768.99 g/mol
Exact Mass768.26
IUPAC NameN-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4cccc(N(c5ccc6c(c5)sc5ccc7ccccc7c56)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c23)cc1
InChIInChI=1S/C56H36N2S/c1-3-14-37(15-4-1)45-25-12-17-39-18-13-26-47(55(39)45)40-19-11-22-42(34-40)57(44-30-32-50-54(36-44)59-53-33-28-38-16-7-8-23-46(38)56(50)53)43-29-31-49-48-24-9-10-27-51(48)58(52(49)35-43)41-20-5-2-6-21-41/h1-36H
InChIKeyYEVXJXWARMSVIS-UHFFFAOYSA-N
XLogP16.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.99
LogP ≤ 516.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-2-yl)benzene-1,4-diamine
CID 165017692
N-(4-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 170042593
N-(3-naphtho[2,1-b][1]benzothiol-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 168807456
N-(4-carbazol-9-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379902
N-naphtho[2,1-b][1]benzothiol-9-yl-N-(4-phenylnaphthalen-1-yl)-9-(3-phenylphenyl)carbazol-2-amine
CID 166997307
2-dibenzothiophen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170298734
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 170379955
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042535
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenylcarbazol-2-amine
CID 170042433
N-naphtho[2,1-b][1]benzothiol-9-yl-N-phenyl-5-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163536806
N-(4-naphtho[2,1-b][1]benzothiol-3-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 170042092
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-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine (CID 169285540) is N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is c1ccc(-c2cccc3cccc(-c4cccc(N(c5ccc6c(c5)sc5ccc7ccccc7c56)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c23)cc1.
What is the InChIKey of N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
The InChIKey is YEVXJXWARMSVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2S/c1-3-14-37(15-4-1)45-25-12-17-39-18-13-26-47(55(39)45)40-19-11-22-42(34-40)57(44-30-32-50-54(36-44)59-53-33-28-38-16-7-8-23-46(38)56(50)53)43-29-31-49-48-24-9-10-27-51(48)58(52(49)35-43)41-20-5-2-6-21-41/h1-36H.
What are the key properties of N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine?
N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine has a molecular weight of 768.99 g/mol, XLogP of 16.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphtho[2,1-b][1]benzothiol-9-yl-9-phenyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 169285540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).