10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole

C29H18N2S — CID 118317519

IUPAC10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5sccc5c43)cc3ccccc23)cc1
InChIInChI=1S/C29H18N2S/c1-2-8-19(9-3-1)28-21-11-5-4-10-20(21)18-27(30-28)31-25-13-7-6-12-22(25)23-14-15-26-24(29(23)31)16-17-32-26/h1-18H
InChIKeySVPYHJJYMBJYMU-UHFFFAOYSA-N
MW426.54 g/mol
LogP8.21
Rot. Bonds2

About 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole

10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole (PubChem CID 118317519) has the molecular formula C29H18N2S and a molecular weight of 426.54 g/mol. Its IUPAC name is 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole.

Molecular Properties

Compound Name10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole
PubChem CID118317519
Molecular FormulaC29H18N2S
Molecular Weight426.54 g/mol
Exact Mass426.12
IUPAC Name10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4ccc5sccc5c43)cc3ccccc23)cc1
InChIInChI=1S/C29H18N2S/c1-2-8-19(9-3-1)28-21-11-5-4-10-20(21)18-27(30-28)31-25-13-7-6-12-22(25)23-14-15-26-24(29(23)31)16-17-32-26/h1-18H
InChIKeySVPYHJJYMBJYMU-UHFFFAOYSA-N
XLogP8.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.54
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(6-phenyl-2-pyridinyl)thieno[3,2-a]carbazole
CID 123752753
10-(3,5-diphenylphenyl)-7-(4-phenylphenyl)thieno[3,2-a]carbazole
CID 144815935
11,11-dimethyl-5-(1-phenylisoquinolin-3-yl)indeno[1,2-b]carbazole
CID 118502176
3-phenyl-16-(4-phenylquinazolin-2-yl)-3,16-diazahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17,19,21-undecaene
CID 122465729
15-(3-phenylquinoxalin-2-yl)-9-thia-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 118657591
1-phenyl-10-[2-phenyl-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)pyrimidin-4-yl]pyrrolo[2,3-a]carbazole
CID 90091012
12-(6-dibenzothiophen-2-yl-2-phenylpyrimidin-4-yl)-11-phenylindolo[2,3-a]carbazole
CID 90085719
16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163802710
4-(2,6-diphenylpyrimidin-4-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenylpyrimidin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-naphthalen-2-yl-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene;4-naphthalen-2-yl-26-(4-phenylquinazolin-2-yl)-15-thia-4,26-diazaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaene
CID 162026045
24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432196
24-(2,6-diphenylpyrimidin-4-yl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
CID 121432185
27-(2,6-diphenylpyrimidin-4-yl)-2,27-diazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaene
CID 90433039

Frequently Asked Questions

What is the IUPAC name of 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole?
The IUPAC name of 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole (CID 118317519) is 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole.
What is the SMILES notation for 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole?
The canonical SMILES for 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4ccc5sccc5c43)cc3ccccc23)cc1.
What is the InChIKey of 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole?
The InChIKey is SVPYHJJYMBJYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2S/c1-2-8-19(9-3-1)28-21-11-5-4-10-20(21)18-27(30-28)31-25-13-7-6-12-22(25)23-14-15-26-24(29(23)31)16-17-32-26/h1-18H.
What are the key properties of 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole?
10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole has a molecular weight of 426.54 g/mol, XLogP of 8.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-phenylisoquinolin-3-yl)thieno[3,2-a]carbazole is sourced from PubChem (CID 118317519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).