1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene

C162H190N6O4S4 — CID 157090658

IUPAC1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCn1c2ccccc2c2ccccc21.CCCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C16H17N.C15H15N.2C14H13N.C13H11N.C12H15N.C12H8OS.C12H8O.C12H8S2.C12H8S.C8H8O2.11C2H6/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)9-5-6-10-8;11*1-2/h4-11H,2-3,12H2,1H3;3-10H,2,11H2,1H3;2*3-10H,2H2,1H3;2-9H,1H3;1,4-5H,2-3,6-9H2;1-8H;1-8H;1-8H;1-8H;1-4H,5-6H2;11*1-2H3
InChIKeyAEPWMTXUPKQLCY-UHFFFAOYSA-N
MW2413.61 g/mol
LogP50.78
Rot. Bonds7

About 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene

1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene (PubChem CID 157090658) has the molecular formula C162H190N6O4S4 and a molecular weight of 2413.61 g/mol. Its IUPAC name is 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene.

Molecular Properties

Compound Name1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene
PubChem CID157090658
Molecular FormulaC162H190N6O4S4
Molecular Weight2413.61 g/mol
Exact Mass2411.37
IUPAC Name1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCn1c2ccccc2c2ccccc21.CCCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12
InChIInChI=1S/C16H17N.C15H15N.2C14H13N.C13H11N.C12H15N.C12H8OS.C12H8O.C12H8S2.C12H8S.C8H8O2.11C2H6/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)9-5-6-10-8;11*1-2/h4-11H,2-3,12H2,1H3;3-10H,2,11H2,1H3;2*3-10H,2H2,1H3;2-9H,1H3;1,4-5H,2-3,6-9H2;1-8H;1-8H;1-8H;1-8H;1-4H,5-6H2;11*1-2H3
InChIKeyAEPWMTXUPKQLCY-UHFFFAOYSA-N
XLogP50.78
TPSA68.72 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002413.61
LogP ≤ 550.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene 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

9-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[3-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-5-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 118097812
[6-(3H-dibenzofuran-3-id-2-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylsilane;[6-(3H-dibenzofuran-3-id-2-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;tetrakis([6-(3H-dibenzofuran-3-id-2-yl)-3-pyridinyl]-trimethylsilane);[6-(3H-dibenzothiophen-3-id-2-yl)-3-pyridinyl]-trimethylsilane;[6-(9-ethyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]-trimethylsilane;decakis(iridium);2,3,4,5-tetradeuterio-6-phenylpyridine;2,3,4,5-tetradeuterio-6-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine;bis(2-(3,4,5-trideuteriobenzene-6-id-1-yl)pyridine);trimethyl-[6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane;trimethyl-(2-phenyl-3-pyridinyl)silane;trimethyl-(2-phenyl-4-pyridinyl)silane;tris(trimethyl-(6-phenyl-3-pyridinyl)silane);trimethyl-[6-(3-trimethylsilylbenzene-6-id-1-yl)-3-pyridinyl]silane
CID 157063676
9-[4-(1-Benzofuran-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-(1-benzothiophen-3-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 157070709
2-Dibenzofuran-4-yl-8-methyldibenzofuran;3-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-9-methylcarbazole;3-dibenzothiophen-4-yl-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole;methane;3-(8-methyldibenzofuran-2-yl)-9-phenylcarbazole;5-methyl-3,20-dithiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6-methyl-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 157077917
9-[4-[4,6-Bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-2-ylnaphthalen-1-yl)carbazole;9-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(5-dibenzothiophen-4-ylnaphthalen-1-yl)carbazole;3-(3-dibenzofuran-4-ylphenyl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole
CID 157098394
3-Dibenzofuran-4-yl-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-phenylphenyl)carbazole
CID 157099823
3-[9-(4-Dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157164267
3-(6-Dibenzothiophen-4-yldibenzofuran-4-yl)-9-methylcarbazole;3,6-di(dibenzothiophen-4-yl)-9-methylcarbazole
CID 157198444
1-Benzofuran;1-benzothiophene;heptakis(2,2-dimethylpropane);9-ethylcarbazole;furan;11-phenylbenzo[a]carbazole;5-phenylbenzo[b]carbazole;7-phenylbenzo[c]carbazole;toluene
CID 157204627
2'-Dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-dibenzothiophen-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];2'-[4-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 157219064
4'-Dibenzofuran-4-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-naphthalen-2-ylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene];4'-(9-phenylcarbazol-3-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-thioxanthene]
CID 157227490
2-(2H-dibenzofuran-2-id-3-yl)pyridine;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);1-phenyl-[1]benzothiolo[2,3-c]pyridine;bis(1-phenylisoquinoline);2-phenylpyridine;2-phenylquinoline
CID 157245666

Frequently Asked Questions

What is the IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene?
The IUPAC name of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene (CID 157090658) is 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene.
What is the SMILES notation for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene?
The canonical SMILES for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCCCn1c2ccccc2c2ccccc21.CCCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.c1cc2c3c(c1)CCCN3CCC2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)Oc1ccccc1S2.c1ccc2c(c1)Sc1ccccc1S2.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.
What is the InChIKey of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene?
The InChIKey is AEPWMTXUPKQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N.C15H15N.2C14H13N.C13H11N.C12H15N.C12H8OS.C12H8O.C12H8S2.C12H8S.C8H8O2.11C2H6/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16;2*1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-4-10-6-2-8-13-9-3-7-11(5-1)12(10)13;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)9-5-6-10-8;11*1-2/h4-11H,2-3,12H2,1H3;3-10H,2,11H2,1H3;2*3-10H,2H2,1H3;2-9H,1H3;1,4-5H,2-3,6-9H2;1-8H;1-8H;1-8H;1-8H;1-4H,5-6H2;11*1-2H3.
What are the key properties of 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene?
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene has a molecular weight of 2413.61 g/mol, XLogP of 50.78, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;9-butylcarbazole;dibenzofuran;dibenzothiophene;2,3-dihydro-1,4-benzodioxine;ethane;bis(9-ethylcarbazole);9-methylcarbazole;phenoxathiine;9-propylcarbazole;thianthrene is sourced from PubChem (CID 157090658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).