10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine

C45H32N2S — CID 138604561

IUPAC10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine
SMILESC=Cc1ccc2c(c1/C=C\C)c1cc3c(cc1n2-c1ccc2ccccc2c1)sc1ccc(N(c2ccccc2)c2ccccc2)cc13
InChIInChI=1S/C45H32N2S/c1-3-13-37-30(4-2)21-24-41-45(37)40-28-39-38-27-36(46(33-16-7-5-8-17-33)34-18-9-6-10-19-34)23-25-43(38)48-44(39)29-42(40)47(41)35-22-20-31-14-11-12-15-32(31)26-35/h3-29H,2H2,1H3/b13-3-
InChIKeyWHYHAUDKJWMFHT-DXNYSGJVSA-N
MW632.83 g/mol
LogP13.45
Rot. Bonds6

About 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine

10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine (PubChem CID 138604561) has the molecular formula C45H32N2S and a molecular weight of 632.83 g/mol. Its IUPAC name is 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine.

Molecular Properties

Compound Name10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine
PubChem CID138604561
Molecular FormulaC45H32N2S
Molecular Weight632.83 g/mol
Exact Mass632.23
IUPAC Name10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine
SMILESC=Cc1ccc2c(c1/C=C\C)c1cc3c(cc1n2-c1ccc2ccccc2c1)sc1ccc(N(c2ccccc2)c2ccccc2)cc13
InChIInChI=1S/C45H32N2S/c1-3-13-37-30(4-2)21-24-41-45(37)40-28-39-38-27-36(46(33-16-7-5-8-17-33)34-18-9-6-10-19-34)23-25-43(38)48-44(39)29-42(40)47(41)35-22-20-31-14-11-12-15-32(31)26-35/h3-29H,2H2,1H3/b13-3-
InChIKeyWHYHAUDKJWMFHT-DXNYSGJVSA-N
XLogP13.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.83
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

16-[6-ethenyl-5-[(Z)-prop-1-enyl]naphthalen-2-yl]-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154975124
7-naphthalen-2-yl-N-naphtho[1,2-b][1]benzothiol-8-yl-N-phenylbenzo[c]carbazol-10-amine
CID 163616554
6-ethenyl-N,N-diphenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
CID 170405383
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164596
N-[8-ethenyl-9-[(Z)-prop-1-enyl]dibenzothiophen-2-yl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-10-amine
CID 129094564
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
N-dibenzothiophen-2-yl-N-naphthalen-1-yl-5-naphthalen-2-ylbenzo[b]carbazol-3-amine
CID 163689901
5-[7-[dibenzothiophen-2-yl(naphthalen-2-yl)amino]-9-phenylcarbazol-3-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588754
N-dibenzothiophen-2-yl-21-naphthalen-2-yl-N,2,15-triphenyl-2,15,21-triazapentacyclo[14.3.1.17,10.03,8.09,14]henicosa-1(20),3,5,7,9,11,13,16,18-nonaen-18-amine
CID 139380043
3-([1]benzothiolo[2,3-b]carbazol-7-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-3-naphthalen-2-yl-N-phenylaniline;N-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-4-naphthalen-1-yl-N-phenylaniline
CID 158502718
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(4-phenanthren-2-ylphenyl)-N-phenylaniline
CID 163486242
N,N-diphenyl-11-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-8-amine
CID 90050805

Frequently Asked Questions

What is the IUPAC name of 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine?
The IUPAC name of 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine (CID 138604561) is 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine.
What is the SMILES notation for 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine?
The canonical SMILES for 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine is C=Cc1ccc2c(c1/C=C\C)c1cc3c(cc1n2-c1ccc2ccccc2c1)sc1ccc(N(c2ccccc2)c2ccccc2)cc13.
What is the InChIKey of 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine?
The InChIKey is WHYHAUDKJWMFHT-DXNYSGJVSA-N. The full InChI is InChI=1S/C45H32N2S/c1-3-13-37-30(4-2)21-24-41-45(37)40-28-39-38-27-36(46(33-16-7-5-8-17-33)34-18-9-6-10-19-34)23-25-43(38)48-44(39)29-42(40)47(41)35-22-20-31-14-11-12-15-32(31)26-35/h3-29H,2H2,1H3/b13-3-.
What are the key properties of 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine?
10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine has a molecular weight of 632.83 g/mol, XLogP of 13.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethenyl-7-naphthalen-2-yl-N,N-diphenyl-11-[(Z)-prop-1-enyl]-[1]benzothiolo[2,3-b]carbazol-2-amine is sourced from PubChem (CID 138604561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).