10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole

C33H22N4OS — CID 140954347

IUPAC10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
SMILESCn1ccnc1-c1cccc(Oc2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccccn4)c3c2)c1
InChIInChI=1S/C33H22N4OS/c1-36-18-17-35-33(36)21-7-6-8-22(19-21)38-23-12-13-24-25-14-15-29-31(26-9-2-3-10-28(26)39-29)32(25)37(27(24)20-23)30-11-4-5-16-34-30/h2-20H,1H3
InChIKeyQLDSOQZWVPWULO-UHFFFAOYSA-N
MW522.63 g/mol
LogP8.74
Rot. Bonds4

About 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole

10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole (PubChem CID 140954347) has the molecular formula C33H22N4OS and a molecular weight of 522.63 g/mol. Its IUPAC name is 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole.

Molecular Properties

Compound Name10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
PubChem CID140954347
Molecular FormulaC33H22N4OS
Molecular Weight522.63 g/mol
Exact Mass522.15
IUPAC Name10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
SMILESCn1ccnc1-c1cccc(Oc2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccccn4)c3c2)c1
InChIInChI=1S/C33H22N4OS/c1-36-18-17-35-33(36)21-7-6-8-22(19-21)38-23-12-13-24-25-14-15-29-31(26-9-2-3-10-28(26)39-29)32(25)37(27(24)20-23)30-11-4-5-16-34-30/h2-20H,1H3
InChIKeyQLDSOQZWVPWULO-UHFFFAOYSA-N
XLogP8.74
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 58.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[3-[3-(4-tert-butyl-2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 176782806
12-pyridin-2-yl-10-[3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-[1]benzothiolo[3,2-a]carbazole
CID 140952983
3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-yl]oxy]aniline
CID 176783899
2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592465
[3-(1-methylbenzimidazol-2-yl)phenyl]-diphenyl-(12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazol-10-yl)silane
CID 140953469
5,10-dipyridin-2-yl-2,7-bis[3-(1,4,5-trimethylimidazol-2-yl)phenoxy]indolo[3,2-b]indole
CID 154592375
10-[3-(3-tert-butyl-4-phenylpyrazol-1-yl)phenoxy]-12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazole
CID 176782568
12-(4-tert-butyl-2-pyridinyl)-10-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-[1]benzothiolo[3,2-a]carbazole
CID 176782083
12-(4-tert-butyl-2-pyridinyl)-10-[3-[3-(2,4-ditert-butyl-6-methylphenyl)-2H-imidazol-1-yl]phenoxy]-[1]benzothiolo[3,2-a]carbazole
CID 176782184
1-[3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzothiolo[3,2-a]carbazol-10-yl]oxy]phenyl]-3-methyl-2H-[1]benzofuro[2,3-d]imidazole
CID 176782107
formonitrile;2-(1-methylimidazol-2-yl)-9-pyridin-2-ylcarbazole;platinum(2+)
CID 71478924
10-phenanthro[10,9-b]pyridin-11-ylsulfanyl-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole
CID 140955154

Frequently Asked Questions

What is the IUPAC name of 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
The IUPAC name of 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole (CID 140954347) is 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole.
What is the SMILES notation for 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
The canonical SMILES for 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole is Cn1ccnc1-c1cccc(Oc2ccc3c4ccc5sc6ccccc6c5c4n(-c4ccccn4)c3c2)c1.
What is the InChIKey of 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
The InChIKey is QLDSOQZWVPWULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4OS/c1-36-18-17-35-33(36)21-7-6-8-22(19-21)38-23-12-13-24-25-14-15-29-31(26-9-2-3-10-28(26)39-29)32(25)37(27(24)20-23)30-11-4-5-16-34-30/h2-20H,1H3.
What are the key properties of 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole?
10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole has a molecular weight of 522.63 g/mol, XLogP of 8.74, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1-methylimidazol-2-yl)phenoxy]-12-pyridin-2-yl-[1]benzothiolo[3,2-a]carbazole is sourced from PubChem (CID 140954347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).