15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

C27H17NS — CID 158856907

IUPAC15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3sc4c5c(ccc4c32)-c2ccccc2C5)cc1
InChIInChI=1S/C27H17NS/c1-2-9-18(10-3-1)28-24-13-7-6-12-21(24)27-25(28)22-15-14-20-19-11-5-4-8-17(19)16-23(20)26(22)29-27/h1-15H,16H2
InChIKeyADLSJJAHNRJSAF-UHFFFAOYSA-N
MW387.51 g/mol
LogP7.57
Rot. Bonds1

About 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (PubChem CID 158856907) has the molecular formula C27H17NS and a molecular weight of 387.51 g/mol. Its IUPAC name is 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.

Molecular Properties

Compound Name15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
PubChem CID158856907
Molecular FormulaC27H17NS
Molecular Weight387.51 g/mol
Exact Mass387.11
IUPAC Name15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3sc4c5c(ccc4c32)-c2ccccc2C5)cc1
InChIInChI=1S/C27H17NS/c1-2-9-18(10-3-1)28-24-13-7-6-12-21(24)27-25(28)22-15-14-20-19-11-5-4-8-17(19)16-23(20)26(22)29-27/h1-15H,16H2
InChIKeyADLSJJAHNRJSAF-UHFFFAOYSA-N
XLogP7.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene with MolForge

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Related Compounds

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CID 118602470
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CID 164828249
12-[5-(9H-fluoren-1-yl)-9H-fluoren-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 170284217
6-(2-dibenzothiophen-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828021
4-(4-bromophenyl)-6-phenyldibenzothiophene;3-phenyl-10H-indeno[2,1-e]indole;3-phenyl-10-[4-(6-phenyldibenzothiophen-4-yl)phenyl]pyrrolo[3,2-a]carbazole
CID 159415083
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CID 90296120
6-(2-dibenzofuran-1-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828585
10-phenyl-6-[4-(7-phenyldibenzofuran-3-yl)phenyl]-[1]benzothiolo[3,2-b]indole
CID 164828402
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
5-[7-(9H-fluoren-3-yl)-9H-fluoren-1-yl]-12-phenylindolo[3,2-c]carbazole
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3-(6-naphthalen-1-ylnaphthalen-2-yl)-15-phenyl-23-thia-3,15-diazahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602505

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?
The IUPAC name of 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (CID 158856907) is 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.
What is the SMILES notation for 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?
The canonical SMILES for 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is c1ccc(-n2c3ccccc3c3sc4c5c(ccc4c32)-c2ccccc2C5)cc1.
What is the InChIKey of 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?
The InChIKey is ADLSJJAHNRJSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NS/c1-2-9-18(10-3-1)28-24-13-7-6-12-21(24)27-25(28)22-15-14-20-19-11-5-4-8-17(19)16-23(20)26(22)29-27/h1-15H,16H2.
What are the key properties of 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?
15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene has a molecular weight of 387.51 g/mol, XLogP of 7.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-23-thia-15-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is sourced from PubChem (CID 158856907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).