9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole

C48H32N2S — CID 167043312

IUPAC9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
SMILESC=C1/C=C\C=C/N(c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C48H32N2S/c1-32-13-9-10-28-49(37-17-11-16-34(29-37)33-14-3-2-4-15-33)42-26-24-35(30-40(32)42)36-25-27-44-41(31-36)38-18-5-7-20-43(38)50(44)45-21-12-23-47-48(45)39-19-6-8-22-46(39)51-47/h2-31H,1H2/b13-9-,28-10-
InChIKeyBDENDJRDTUUUBH-GWTJOJIPSA-N
MW668.87 g/mol
LogP13.72
Rot. Bonds4

About 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole

9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole (PubChem CID 167043312) has the molecular formula C48H32N2S and a molecular weight of 668.87 g/mol. Its IUPAC name is 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole.

Molecular Properties

Compound Name9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
PubChem CID167043312
Molecular FormulaC48H32N2S
Molecular Weight668.87 g/mol
Exact Mass668.23
IUPAC Name9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
SMILESC=C1/C=C\C=C/N(c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C48H32N2S/c1-32-13-9-10-28-49(37-17-11-16-34(29-37)33-14-3-2-4-15-33)42-26-24-35(30-40(32)42)36-25-27-44-41(31-36)38-18-5-7-20-43(38)50(44)45-21-12-23-47-48(45)39-19-6-8-22-46(39)51-47/h2-31H,1H2/b13-9-,28-10-
InChIKeyBDENDJRDTUUUBH-GWTJOJIPSA-N
XLogP13.72
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.87
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-9-phenylcarbazole
CID 156643406
9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 144578956
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
ethane;6-[2-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 176936679
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-dibenzothiophen-1-yl-14-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166961335
8-(9-dibenzothiophen-1-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243638
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-dibenzothiophen-1-yl-3-[10-(3-phenylphenyl)phenanthren-3-yl]carbazole
CID 167289270
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756

Frequently Asked Questions

What is the IUPAC name of 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole?
The IUPAC name of 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole (CID 167043312) is 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole.
What is the SMILES notation for 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole?
The canonical SMILES for 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole is C=C1/C=C\C=C/N(c2cccc(-c3ccccc3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4sc5ccccc5c34)cc21.
What is the InChIKey of 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole?
The InChIKey is BDENDJRDTUUUBH-GWTJOJIPSA-N. The full InChI is InChI=1S/C48H32N2S/c1-32-13-9-10-28-49(37-17-11-16-34(29-37)33-14-3-2-4-15-33)42-26-24-35(30-40(32)42)36-25-27-44-41(31-36)38-18-5-7-20-43(38)50(44)45-21-12-23-47-48(45)39-19-6-8-22-46(39)51-47/h2-31H,1H2/b13-9-,28-10-.
What are the key properties of 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole?
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole has a molecular weight of 668.87 g/mol, XLogP of 13.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole is sourced from PubChem (CID 167043312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).