N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine

C40H26N2S — CID 122578629

IUPACN-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4n(-c4ccccc4)c3c3c2sc2ccccc23)cc1
InChIInChI=1S/C40H26N2S/c1-3-16-28(17-4-1)41(34-24-13-15-27-14-7-8-20-30(27)34)36-26-33-31-21-9-11-23-35(31)42(29-18-5-2-6-19-29)39(33)38-32-22-10-12-25-37(32)43-40(36)38/h1-26H
InChIKeyGSZXFGCMYKFYOL-UHFFFAOYSA-N
MW566.73 g/mol
LogP11.77
Rot. Bonds4

About N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine

N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine (PubChem CID 122578629) has the molecular formula C40H26N2S and a molecular weight of 566.73 g/mol. Its IUPAC name is N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine
PubChem CID122578629
Molecular FormulaC40H26N2S
Molecular Weight566.73 g/mol
Exact Mass566.18
IUPAC NameN-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4n(-c4ccccc4)c3c3c2sc2ccccc23)cc1
InChIInChI=1S/C40H26N2S/c1-3-16-28(17-4-1)41(34-24-13-15-27-14-7-8-20-30(27)34)36-26-33-31-21-9-11-23-35(31)42(29-18-5-2-6-19-29)39(33)38-32-22-10-12-25-37(32)43-40(36)38/h1-26H
InChIKeyGSZXFGCMYKFYOL-UHFFFAOYSA-N
XLogP11.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.73
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-phenyl-N,N-bis(4-phenylphenyl)-[1]benzothiolo[3,2-a]carbazol-6-amine
CID 122578520
N-dibenzothiophen-4-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-2-amine
CID 170042399
N-(4-naphtho[2,1-b][1]benzothiol-6-ylphenyl)-9-phenyl-N-(3-phenylphenyl)carbazol-1-amine
CID 170042316
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
3-chloro-N-phenyl-5-[4-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161338244
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenyldibenzothiophen-1-yl)carbazol-4-amine
CID 168847959
2-N,4-N-dinaphthalen-1-yl-2-N,4-N-diphenyl-7-(9-phenylcarbazol-2-yl)dibenzothiophene-2,4-diamine
CID 129178911
3-N-dibenzofuran-1-yl-3-N-phenyl-5-(12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 162465014
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N-dibenzofuran-3-yl-N-naphtho[2,1-b][1]benzothiol-6-yl-9-phenylcarbazol-1-amine
CID 170042142
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]dibenzothiophen-3-amine
CID 129085135

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine?
The IUPAC name of N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine (CID 122578629) is N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine.
What is the SMILES notation for N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine?
The canonical SMILES for N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine is c1ccc(N(c2cccc3ccccc23)c2cc3c4ccccc4n(-c4ccccc4)c3c3c2sc2ccccc23)cc1.
What is the InChIKey of N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine?
The InChIKey is GSZXFGCMYKFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2S/c1-3-16-28(17-4-1)41(34-24-13-15-27-14-7-8-20-30(27)34)36-26-33-31-21-9-11-23-35(31)42(29-18-5-2-6-19-29)39(33)38-32-22-10-12-25-37(32)43-40(36)38/h1-26H.
What are the key properties of N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine?
N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine has a molecular weight of 566.73 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N,12-diphenyl-[1]benzothiolo[3,2-a]carbazol-6-amine is sourced from PubChem (CID 122578629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).