23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene

C37H21N3OS — CID 129040217

IUPAC23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
SMILESc1cc(-c2cc3ccc4ccccc4n3n2)cc(-n2c3cc4c(cc3c3sc5ccccc5c32)oc2ccccc24)c1
InChIInChI=1S/C37H21N3OS/c1-4-13-31-22(8-1)16-17-25-19-30(38-40(25)31)23-9-7-10-24(18-23)39-32-20-28-26-11-2-5-14-33(26)41-34(28)21-29(32)37-36(39)27-12-3-6-15-35(27)42-37/h1-21H
InChIKeyJVLPREHCTYZAKK-UHFFFAOYSA-N
MW555.66 g/mol
LogP10.37
Rot. Bonds2

About 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene

23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene (PubChem CID 129040217) has the molecular formula C37H21N3OS and a molecular weight of 555.66 g/mol. Its IUPAC name is 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene.

Molecular Properties

Compound Name23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
PubChem CID129040217
Molecular FormulaC37H21N3OS
Molecular Weight555.66 g/mol
Exact Mass555.14
IUPAC Name23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
SMILESc1cc(-c2cc3ccc4ccccc4n3n2)cc(-n2c3cc4c(cc3c3sc5ccccc5c32)oc2ccccc24)c1
InChIInChI=1S/C37H21N3OS/c1-4-13-31-22(8-1)16-17-25-19-30(38-40(25)31)23-9-7-10-24(18-23)39-32-20-28-26-11-2-5-14-33(26)41-34(28)21-29(32)37-36(39)27-12-3-6-15-35(27)42-37/h1-21H
InChIKeyJVLPREHCTYZAKK-UHFFFAOYSA-N
XLogP10.37
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.66
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene with MolForge

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Related Compounds

(4Z)-4-[5-[3-(10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaen-23-yl)phenyl]-1H-pyridin-2-ylidene]hexa-1,5-dien-3-imine
CID 144803444
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 159253152
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 165076268
23-[3-(21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaen-22-yl)phenyl]-10-oxa-21-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,19-decaene
CID 121474759
11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
CID 118154269
8-dibenzofuran-2-yl-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164827969
21-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635318
12-(3,5-diphenylphenyl)-5-[4-(3,5-diphenylphenyl)phenyl]indolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-12-naphthalen-2-ylindolo[3,2-c]carbazole;5-[4-(3,5-diphenylphenyl)phenyl]-7-phenylindolo[2,3-b]carbazole;11-(4-phenylphenyl)-[1]benzofuro[3,2-b]carbazole
CID 159997098
9-[3-(4-dibenzofuran-3-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 176831517
9-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]-1-dibenzothiophen-2-ylcarbazole
CID 163483112
5-[3-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-pyridinyl]phenyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154413
11-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118154247

Frequently Asked Questions

What is the IUPAC name of 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene?
The IUPAC name of 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene (CID 129040217) is 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene.
What is the SMILES notation for 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene?
The canonical SMILES for 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene is c1cc(-c2cc3ccc4ccccc4n3n2)cc(-n2c3cc4c(cc3c3sc5ccccc5c32)oc2ccccc24)c1.
What is the InChIKey of 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene?
The InChIKey is JVLPREHCTYZAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3OS/c1-4-13-31-22(8-1)16-17-25-19-30(38-40(25)31)23-9-7-10-24(18-23)39-32-20-28-26-11-2-5-14-33(26)41-34(28)21-29(32)37-36(39)27-12-3-6-15-35(27)42-37/h1-21H.
What are the key properties of 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene?
23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene has a molecular weight of 555.66 g/mol, XLogP of 10.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-(3-pyrazolo[1,5-a]quinolin-2-ylphenyl)-10-oxa-15-thia-23-azahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene is sourced from PubChem (CID 129040217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).