10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole

C30H20N2S — CID 129290243

IUPAC10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole
SMILESCc1csc2c1ccc1c3ccccc3n(-c3cccc(-c4nccc5ccccc45)c3)c12
InChIInChI=1S/C30H20N2S/c1-19-18-33-30-23(19)13-14-26-25-11-4-5-12-27(25)32(29(26)30)22-9-6-8-21(17-22)28-24-10-3-2-7-20(24)15-16-31-28/h2-18H,1H3
InChIKeyRNLUFVIOTUFGOM-UHFFFAOYSA-N
MW440.57 g/mol
LogP8.52
Rot. Bonds2

About 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole

10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole (PubChem CID 129290243) has the molecular formula C30H20N2S and a molecular weight of 440.57 g/mol. Its IUPAC name is 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole.

Molecular Properties

Compound Name10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole
PubChem CID129290243
Molecular FormulaC30H20N2S
Molecular Weight440.57 g/mol
Exact Mass440.13
IUPAC Name10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole
SMILESCc1csc2c1ccc1c3ccccc3n(-c3cccc(-c4nccc5ccccc45)c3)c12
InChIInChI=1S/C30H20N2S/c1-19-18-33-30-23(19)13-14-26-25-11-4-5-12-27(25)32(29(26)30)22-9-6-8-21(17-22)28-24-10-3-2-7-20(24)15-16-31-28/h2-18H,1H3
InChIKeyRNLUFVIOTUFGOM-UHFFFAOYSA-N
XLogP8.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(3-isoquinolin-1-ylphenyl)-3,6-dimethylcarbazole
CID 140607078
9-[3-[3-(3-isoquinolin-1-ylphenyl)phenyl]-5-phenylphenyl]carbazole
CID 140587089
3-carbazol-9-yl-10-(3-isoquinolin-1-ylphenyl)-7-thiophen-2-ylphenoxazine
CID 140607109
(3-isoquinolin-1-ylphenyl)-(9-phenylcarbazol-2-yl)oxy-(9-phenylcarbazol-3-yl)oxyphosphane
CID 140617424
10-phenyl-14-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-10,15-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122750
5-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzothiolo[2,3-c]isoquinoline
CID 129134329
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
12-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-11-(3-phenylphenyl)indolo[2,3-a]carbazole
CID 155241041
3,6-ditert-butyl-9-[3-(3,6-ditert-butylcarbazol-9-yl)-5-(3-isoquinolin-1-ylphenyl)phenyl]carbazole
CID 59512962
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-18-(3-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701915
11-(3-isoquinolin-1-ylphenyl)-3,8-dimethyl-5,6-dihydrobenzo[b][1]benzazepine
CID 140607034
2,4-bis[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzo[h]quinazoline
CID 121401985

Frequently Asked Questions

What is the IUPAC name of 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole?
The IUPAC name of 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole (CID 129290243) is 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole.
What is the SMILES notation for 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole?
The canonical SMILES for 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole is Cc1csc2c1ccc1c3ccccc3n(-c3cccc(-c4nccc5ccccc45)c3)c12.
What is the InChIKey of 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole?
The InChIKey is RNLUFVIOTUFGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S/c1-19-18-33-30-23(19)13-14-26-25-11-4-5-12-27(25)32(29(26)30)22-9-6-8-21(17-22)28-24-10-3-2-7-20(24)15-16-31-28/h2-18H,1H3.
What are the key properties of 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole?
10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole has a molecular weight of 440.57 g/mol, XLogP of 8.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-isoquinolin-1-ylphenyl)-3-methylthieno[2,3-a]carbazole is sourced from PubChem (CID 129290243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).