8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

C25H18N2OS — CID 144848461

IUPAC8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESC/C=C\c1c(C)sc2ccc(-n3c4cnccc4c4c5ccccc5oc43)cc12
InChIInChI=1S/C25H18N2OS/c1-3-6-17-15(2)29-23-10-9-16(13-20(17)23)27-21-14-26-12-11-18(21)24-19-7-4-5-8-22(19)28-25(24)27/h3-14H,1-2H3/b6-3-
InChIKeyLWDVDVQYKHVMEH-UTCJRWHESA-N
MW394.50 g/mol
LogP7.48
Rot. Bonds2

About 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene

8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (PubChem CID 144848461) has the molecular formula C25H18N2OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.

Molecular Properties

Compound Name8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
PubChem CID144848461
Molecular FormulaC25H18N2OS
Molecular Weight394.50 g/mol
Exact Mass394.11
IUPAC Name8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
SMILESC/C=C\c1c(C)sc2ccc(-n3c4cnccc4c4c5ccccc5oc43)cc12
InChIInChI=1S/C25H18N2OS/c1-3-6-17-15(2)29-23-10-9-16(13-20(17)23)27-21-14-26-12-11-18(21)24-19-7-4-5-8-22(19)28-25(24)27/h3-14H,1-2H3/b6-3-
InChIKeyLWDVDVQYKHVMEH-UTCJRWHESA-N
XLogP7.48
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene with MolForge

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Related Compounds

6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole
CID 121298649
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
CID 166569779
CID 166569779
(8-carbazol-9-yldibenzofuran-4-yl)-diphenyl-(8-pyrido[3,4-b]indol-9-yldibenzothiophen-4-yl)silane
CID 140811709
10-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-8-oxa-5,10,13-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 144848463
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
6-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(3,5-diphenylphenyl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole;6-[4-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[2,3-b]indole;6-[4-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-[1]benzofuro[2,3-b]indole
CID 167550552
2-[8-(4-carbazol-9-ylphenyl)dibenzothiophen-2-yl]-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168921
8-[18-(5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl]-5,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 67952852
9-[8-[3-(8-pyrido[3,4-b]indol-9-yldibenzofuran-2-yl)phenyl]dibenzofuran-2-yl]pyrido[3,4-b]indole
CID 58038552

Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The IUPAC name of 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene (CID 144848461) is 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene.
What is the SMILES notation for 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The canonical SMILES for 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is C/C=C\c1c(C)sc2ccc(-n3c4cnccc4c4c5ccccc5oc43)cc12.
What is the InChIKey of 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
The InChIKey is LWDVDVQYKHVMEH-UTCJRWHESA-N. The full InChI is InChI=1S/C25H18N2OS/c1-3-6-17-15(2)29-23-10-9-16(13-20(17)23)27-21-14-26-12-11-18(21)24-19-7-4-5-8-22(19)28-25(24)27/h3-14H,1-2H3/b6-3-.
What are the key properties of 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene?
8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene has a molecular weight of 394.50 g/mol, XLogP of 7.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-5-yl]-10-oxa-5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene is sourced from PubChem (CID 144848461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).