23-pyrido[1,2-b]indazol-8-yl-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

C31H17N3OS — CID 144803684

IUPAC23-pyrido[1,2-b]indazol-8-yl-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
SMILESc1ccc2c(c1)nn1cc(-n3c4cc5c(cc4c4c6ccccc6sc43)oc3ccccc35)ccc21
InChIInChI=1S/C31H17N3OS/c1-4-10-24-20(8-1)25-14-13-18(17-33(25)32-24)34-26-15-22-19-7-2-5-11-27(19)35-28(22)16-23(26)30-21-9-3-6-12-29(21)36-31(30)34/h1-17H
InChIKeySNFPDSLRIBBILL-UHFFFAOYSA-N
MW479.56 g/mol
LogP8.70
Rot. Bonds1

About 23-pyrido[1,2-b]indazol-8-yl-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-pyrido[1,2-b]indazol-8-yl-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 144803684) has the molecular formula C31H17N3OS and a molecular weight of 479.56 g/mol. Its IUPAC name is 23-pyrido[1,2-b]indazol-8-yl-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-pyrido[1,2-b]indazol-8-yl-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 CID144803684
Molecular FormulaC31H17N3OS
Molecular Weight479.56 g/mol
Exact Mass479.11
IUPAC Name23-pyrido[1,2-b]indazol-8-yl-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
SMILESc1ccc2c(c1)nn1cc(-n3c4cc5c(cc4c4c6ccccc6sc43)oc3ccccc35)ccc21
InChIInChI=1S/C31H17N3OS/c1-4-10-24-20(8-1)25-14-13-18(17-33(25)32-24)34-26-15-22-19-7-2-5-11-27(19)35-28(22)16-23(26)30-21-9-3-6-12-29(21)36-31(30)34/h1-17H
InChIKeySNFPDSLRIBBILL-UHFFFAOYSA-N
XLogP8.70
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 23-pyrido[1,2-b]indazol-8-yl-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

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Related Compounds

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
5-[8-[3-(8-Pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]dibenzothiophen-2-yl]pyrido[3,2-b]indole
CID 57958322
6-Carbazol-9-yl-10-[2-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)dibenzofuran-4-yl]phenyl]-8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 58099690
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
5-Dibenzofuran-2-yl-8-(8-pyridin-2-yldibenzothiophen-2-yl)pyrido[4,3-b]indole
CID 58501593
CID 59358299
CID 59358299
CID 59358649
CID 59358649
CID 59358959
CID 59358959
CID 59359121
CID 59359121
5-[(1Z,3E)-1-[5-[3-(8-pyrido[3,2-b]indol-5-yldibenzofuran-2-yl)phenyl]-1-benzothiophen-2-yl]penta-1,3-dien-3-yl]pyrido[3,2-b]indole
CID 88569208
9-[8-[2-(4-Dibenzothiophen-2-yl-2-pyridinyl)-4-pyridinyl]dibenzofuran-2-yl]carbazole
CID 89433816
9-[8-[5-(8-Dibenzothiophen-4-yldibenzofuran-2-yl)-3-pyridinyl]dibenzofuran-2-yl]carbazole
CID 89433865

Frequently Asked Questions

What is the IUPAC name of 23-pyrido[1,2-b]indazol-8-yl-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-pyrido[1,2-b]indazol-8-yl-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 144803684) is 23-pyrido[1,2-b]indazol-8-yl-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-pyrido[1,2-b]indazol-8-yl-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-pyrido[1,2-b]indazol-8-yl-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 c1ccc2c(c1)nn1cc(-n3c4cc5c(cc4c4c6ccccc6sc43)oc3ccccc35)ccc21.
What is the InChIKey of 23-pyrido[1,2-b]indazol-8-yl-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 SNFPDSLRIBBILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N3OS/c1-4-10-24-20(8-1)25-14-13-18(17-33(25)32-24)34-26-15-22-19-7-2-5-11-27(19)35-28(22)16-23(26)30-21-9-3-6-12-29(21)36-31(30)34/h1-17H.
What are the key properties of 23-pyrido[1,2-b]indazol-8-yl-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-pyrido[1,2-b]indazol-8-yl-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 479.56 g/mol, XLogP of 8.70, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 23-pyrido[1,2-b]indazol-8-yl-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 144803684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).