(Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine

C47H38N2S — CID 145327097

IUPAC(Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine
SMILESC=Cc1c(/C=C\C)sc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(/C(=C\C(NC)c4ccccc4)c4ccccc4)cc3)cccc12
InChIInChI=1S/C47H38N2S/c1-4-15-46-37(5-2)40-22-14-21-38(47(40)50-46)35-26-29-45-42(30-35)39-20-12-13-23-44(39)49(45)36-27-24-33(25-28-36)41(32-16-8-6-9-17-32)31-43(48-3)34-18-10-7-11-19-34/h4-31,43,48H,2H2,1,3H3/b15-4-,41-31-
InChIKeyMWVZHUGQSVIXEB-YHBFWWLPSA-N
MW662.90 g/mol
LogP12.73
Rot. Bonds9

About (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine

(Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine (PubChem CID 145327097) has the molecular formula C47H38N2S and a molecular weight of 662.90 g/mol. Its IUPAC name is (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine
PubChem CID145327097
Molecular FormulaC47H38N2S
Molecular Weight662.90 g/mol
Exact Mass662.28
IUPAC Name(Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine
SMILESC=Cc1c(/C=C\C)sc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(/C(=C\C(NC)c4ccccc4)c4ccccc4)cc3)cccc12
InChIInChI=1S/C47H38N2S/c1-4-15-46-37(5-2)40-22-14-21-38(47(40)50-46)35-26-29-45-42(30-35)39-20-12-13-23-44(39)49(45)36-27-24-33(25-28-36)41(32-16-8-6-9-17-32)31-43(48-3)34-18-10-7-11-19-34/h4-31,43,48H,2H2,1,3H3/b15-4-,41-31-
InChIKeyMWVZHUGQSVIXEB-YHBFWWLPSA-N
XLogP12.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.90
LogP ≤ 512.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]-4-(4-naphthalen-2-ylphenyl)aniline
CID 155228112
10-ethenyl-5-phenyl-9-[(Z)-prop-1-enyl]thieno[2,3-j]phenanthridin-6-one
CID 154979971
3-carbazol-9-yl-9-[3-[3-(3-carbazol-9-ylphenyl)-5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]phenyl]-5-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole
CID 138481747
14-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]phenyl]-3,10-diazahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2,4,6,8,11(16),12,14,18,20,22,24-dodecaene
CID 144508464
methane;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(6-phenyldibenzothiophen-4-yl)carbazole
CID 158753053
3-[2-ethenyl-1-[4-(4-phenylphenyl)phenyl]-3-[(Z)-prop-1-enyl]indol-5-yl]-9-(2-phenylphenyl)carbazole
CID 177063540
3-[2,6-bis(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 58099686
3-[9-[4-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 171812828
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
(Z)-N-[1-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)phenyl]ethyl]-2-(2-methylcyclobutyl)-1-(4-phenylphenyl)ethenamine
CID 90070912
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
1-[2-ethenyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]-9-phenylcarbazole
CID 170226579

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine?
The IUPAC name of (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine (CID 145327097) is (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine.
What is the SMILES notation for (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine?
The canonical SMILES for (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine is C=Cc1c(/C=C\C)sc2c(-c3ccc4c(c3)c3ccccc3n4-c3ccc(/C(=C\C(NC)c4ccccc4)c4ccccc4)cc3)cccc12.
What is the InChIKey of (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine?
The InChIKey is MWVZHUGQSVIXEB-YHBFWWLPSA-N. The full InChI is InChI=1S/C47H38N2S/c1-4-15-46-37(5-2)40-22-14-21-38(47(40)50-46)35-26-29-45-42(30-35)39-20-12-13-23-44(39)49(45)36-27-24-33(25-28-36)41(32-16-8-6-9-17-32)31-43(48-3)34-18-10-7-11-19-34/h4-31,43,48H,2H2,1,3H3/b15-4-,41-31-.
What are the key properties of (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine?
(Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine has a molecular weight of 662.90 g/mol, XLogP of 12.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[3-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]carbazol-9-yl]phenyl]-N-methyl-1,3-diphenylprop-2-en-1-amine is sourced from PubChem (CID 145327097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).