10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole

C27H17N3S — CID 140956696

IUPAC10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-n2c3cc(-c4ncc[nH]4)ccc3c3ccc4sc5ccccc5c4c32)cc1
InChIInChI=1S/C27H17N3S/c1-2-6-18(7-3-1)30-22-16-17(27-28-14-15-29-27)10-11-19(22)20-12-13-24-25(26(20)30)21-8-4-5-9-23(21)31-24/h1-16H,(H,28,29)
InChIKeyKSKGJUFFBXFVQP-UHFFFAOYSA-N
MW415.52 g/mol
LogP7.54
Rot. Bonds2

About 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole

10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole (PubChem CID 140956696) has the molecular formula C27H17N3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole
PubChem CID140956696
Molecular FormulaC27H17N3S
Molecular Weight415.52 g/mol
Exact Mass415.11
IUPAC Name10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole
SMILESc1ccc(-n2c3cc(-c4ncc[nH]4)ccc3c3ccc4sc5ccccc5c4c32)cc1
InChIInChI=1S/C27H17N3S/c1-2-6-18(7-3-1)30-22-16-17(27-28-14-15-29-27)10-11-19(22)20-12-13-24-25(26(20)30)21-8-4-5-9-23(21)31-24/h1-16H,(H,28,29)
InChIKeyKSKGJUFFBXFVQP-UHFFFAOYSA-N
XLogP7.54
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

12-phenyl-15-(4-phenylphenyl)-24-thia-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 144705068
12-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 118503100
12-phenyl-9-(1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 121287149
12-[4-(3-carbazol-9-ylphenyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192765
12-[3-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167192716
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 167193191
1-dibenzothiophen-1-yl-9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705068
9-chloro-12-phenyl-[1]benzothiolo[3,2-a]carbazole
CID 166009350
12-[3-[4-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-6-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3-[6-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]-2-[4-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[3-[2,6-bis[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158286176
12-phenyl-7-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-a]carbazole
CID 134530331
12-[3-[2,6-bis[3-([1]benzothiolo[3,2-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 126630823
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 164960183

Frequently Asked Questions

What is the IUPAC name of 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole (CID 140956696) is 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole is c1ccc(-n2c3cc(-c4ncc[nH]4)ccc3c3ccc4sc5ccccc5c4c32)cc1.
What is the InChIKey of 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is KSKGJUFFBXFVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3S/c1-2-6-18(7-3-1)30-22-16-17(27-28-14-15-29-27)10-11-19(22)20-12-13-24-25(26(20)30)21-8-4-5-9-23(21)31-24/h1-16H,(H,28,29).
What are the key properties of 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole?
10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 415.52 g/mol, XLogP of 7.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1H-imidazol-2-yl)-12-phenyl-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 140956696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).