23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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

C37H21N3OS — CID 149246874

IUPAC23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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
SMILESc1cc(-c2ccc3c4ccccc4nn3c2)cc(-n2c3cc4c(cc3c3c5ccccc5sc32)oc2ccccc24)c1
InChIInChI=1S/C37H21N3OS/c1-4-13-30-26(11-1)31-17-16-23(21-39(31)38-30)22-8-7-9-24(18-22)40-32-19-28-25-10-2-5-14-33(25)41-34(28)20-29(32)36-27-12-3-6-15-35(27)42-37(36)40/h1-21H
InChIKeyXNGYZCIVGKVAMA-UHFFFAOYSA-N
MW555.66 g/mol
LogP10.37
Rot. Bonds2

About 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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

23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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 (PubChem CID 149246874) has the molecular formula C37H21N3OS and a molecular weight of 555.66 g/mol. Its IUPAC name is 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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.

Molecular Properties

Compound Name23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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
PubChem CID149246874
Molecular FormulaC37H21N3OS
Molecular Weight555.66 g/mol
Exact Mass555.14
IUPAC Name23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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
SMILESc1cc(-c2ccc3c4ccccc4nn3c2)cc(-n2c3cc4c(cc3c3c5ccccc5sc32)oc2ccccc24)c1
InChIInChI=1S/C37H21N3OS/c1-4-13-30-26(11-1)31-17-16-23(21-39(31)38-30)22-8-7-9-24(18-22)40-32-19-28-25-10-2-5-14-33(25)41-34(28)20-29(32)36-27-12-3-6-15-35(27)42-37(36)40/h1-21H
InChIKeyXNGYZCIVGKVAMA-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-pyrido[1,2-b]indazol-8-ylphenyl)-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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617616
8-[8-(8-Phenyldibenzothiophen-2-yl)dibenzofuran-2-yl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 57544120
1-(3H-dibenzofuran-3-id-2-yl)-3-[2-(1-dibenzothiophen-2-ylpyrazol-3-yl)propan-2-yl]pyrazole;platinum
CID 57622988
9-[8-(2-Pyridin-2-ylphenyl)dibenzofuran-2-yl]-3-[8-(2-pyridin-2-ylphenyl)dibenzothiophen-2-yl]carbazole
CID 57958268
5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322
8,21-Dimethyl-18,26-bis(4-methylphenyl)-13-oxa-5-thia-18,26-diazaheptacyclo[14.10.0.03,14.04,12.06,11.017,25.019,24]hexacosa-1(16),2,4(12),6(11),7,9,14,17(25),19(24),20,22-undecaene
CID 58339975
9-Dibenzofuran-2-yl-3-(8-pyridin-2-yldibenzothiophen-2-yl)-6-(2-pyridin-2-ylphenyl)carbazole
CID 58501567
9-Dibenzofuran-2-yl-3-[6-(8-pyridin-2-yldibenzothiophen-2-yl)-2-pyridinyl]carbazole
CID 58501585
3-(2-Pyridin-3-ylphenyl)-9-[8-[8-(2-pyridin-3-ylphenyl)dibenzothiophen-2-yl]dibenzofuran-2-yl]carbazole
CID 58501588
5-Dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole
CID 58501593
2-(9-Dibenzofuran-2-yl-7-phenylcarbazol-2-yl)-9-dibenzothiophen-2-yl-7-phenylcarbazole
CID 58511000

Frequently Asked Questions

What is the IUPAC name of 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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?
The IUPAC name of 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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 149246874) is 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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.
What is the SMILES notation for 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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?
The canonical SMILES for 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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 is c1cc(-c2ccc3c4ccccc4nn3c2)cc(-n2c3cc4c(cc3c3c5ccccc5sc32)oc2ccccc24)c1.
What is the InChIKey of 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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?
The InChIKey is XNGYZCIVGKVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N3OS/c1-4-13-30-26(11-1)31-17-16-23(21-39(31)38-30)22-8-7-9-24(18-22)40-32-19-28-25-10-2-5-14-33(25)41-34(28)20-29(32)36-27-12-3-6-15-35(27)42-37(36)40/h1-21H.
What are the key properties of 23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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?
23-(3-pyrido[1,2-b]indazol-8-ylphenyl)-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 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-pyrido[1,2-b]indazol-8-ylphenyl)-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 is sourced from PubChem (CID 149246874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).