benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene

C169H202N8O7 — CID 159220756

IUPACbenzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.Cc1ccccc1.c1cc2oc3ccncc3c2cn1.c1cc2oc3ccncc3c2cn1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1ncccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccncc1
InChIInChI=1S/2C12H8O.3C11H7NO.2C10H6N2O.2C10H8.2C10H14.C7H8.2C6H6.C5H5N.14C2H6/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-10(2,3)9-7-5-4-6-8-9;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;14*1-2/h2*1-8H;3*1-7H;2*1-6H;2*1-8H;2*4-8H,1-3H3;2-6H,1H3;2*1-6H;1-5H;14*1-2H3
InChIKeyKRQPASKRFOEOMW-UHFFFAOYSA-N
MW2457.52 g/mol
LogP53.33
Rot. Bonds

About benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene

benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene (PubChem CID 159220756) has the molecular formula C169H202N8O7 and a molecular weight of 2457.52 g/mol. Its IUPAC name is benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene.

Molecular Properties

Compound Namebenzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene
PubChem CID159220756
Molecular FormulaC169H202N8O7
Molecular Weight2457.52 g/mol
Exact Mass2455.57
IUPAC Namebenzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.Cc1ccccc1.c1cc2oc3ccncc3c2cn1.c1cc2oc3ccncc3c2cn1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1ncccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccncc1
InChIInChI=1S/2C12H8O.3C11H7NO.2C10H6N2O.2C10H8.2C10H14.C7H8.2C6H6.C5H5N.14C2H6/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-10(2,3)9-7-5-4-6-8-9;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;14*1-2/h2*1-8H;3*1-7H;2*1-6H;2*1-8H;2*4-8H,1-3H3;2-6H,1H3;2*1-6H;1-5H;14*1-2H3
InChIKeyKRQPASKRFOEOMW-UHFFFAOYSA-N
XLogP53.33
TPSA195.10 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002457.52
LogP ≤ 553.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene with MolForge

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Related Compounds

7-phenyl-[1]benzofuro[2,3-b]pyridine;7-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-c]pyridine;7-phenyl-[1]benzofuro[3,2-c]pyridine
CID 158403740
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 14638891
[1]benzofuro[2,3-b]pyridine;bis([1]benzofuro[3,2-b]pyridine);bis([1]benzofuro[2,3-c]pyridine);bis([1]benzofuro[3,2-c]pyridine);[1]benzofuro[3,2-d]pyrimidine;bis([1]benzothiolo[2,3-b]pyridine);[1]benzothiolo[3,2-b]pyridine;bis([1]benzothiolo[2,3-c]pyridine);bis([1]benzothiolo[3,2-c]pyridine);[1]benzothiolo[3,2-d]pyrimidine;ethane;toluene
CID 161248492
4-(4-methylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-methylphenyl)-[1]benzofuro[2,3-b]pyridine;4-(4-methylphenyl)-[1]benzofuro[3,2-c]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-b]pyridine;6-[4-(trideuteriomethyl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 157380609
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
2-dibenzofuran-2-yl-8-methyldibenzofuran;3-methyl-[1]benzofuro[2,3-b]pyridine;6-methyl-[1]benzofuro[2,3-b]pyridine;8-methyl-[1]benzofuro[2,3-b]pyridine;6-methyl-[1]benzofuro[2,3-c]pyridine;8-methyl-[1]benzofuro[2,3-c]pyridine;2-methyldibenzofuran;4-methyldibenzofuran;toluene
CID 159276038
5-(8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 167165543
2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine
CID 160907375
[1]benzofuro[3,2-c]pyridine;(Z)-but-2-enedioic acid
CID 70413591
6-[5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine;6-[5-(1,1-dideuterioethyl)-1-methylpyridin-1-ium-2-yl]-7-methyl-[1]benzofuro[3,2-c]pyridine;4-(5-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-b]pyridine;8-(5-ethyl-1-methylpyridin-1-ium-2-yl)-7-methyl-[1]benzofuro[2,3-b]pyridine;4-(5-ethyl-1-methylpyridin-1-ium-2-yl)-3-methyl-[1]benzofuro[3,2-c]pyridine
CID 160789785
8-oxa-3,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 164813193

Frequently Asked Questions

What is the IUPAC name of benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene?
The IUPAC name of benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene (CID 159220756) is benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene.
What is the SMILES notation for benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene?
The canonical SMILES for benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.Cc1ccccc1.c1cc2oc3ccncc3c2cn1.c1cc2oc3ccncc3c2cn1.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1cccnc12.c1ccc2c(c1)oc1ccncc12.c1ccc2c(c1)oc1ncccc12.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccccc1.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene?
The InChIKey is KRQPASKRFOEOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8O.3C11H7NO.2C10H6N2O.2C10H8.2C10H14.C7H8.2C6H6.C5H5N.14C2H6/c2*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;2*1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-10(2,3)9-7-5-4-6-8-9;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;14*1-2/h2*1-8H;3*1-7H;2*1-6H;2*1-8H;2*4-8H,1-3H3;2-6H,1H3;2*1-6H;1-5H;14*1-2H3.
What are the key properties of benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene?
benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene has a molecular weight of 2457.52 g/mol, XLogP of 53.33, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[1]benzofuro[2,3-b]pyridine;[1]benzofuro[3,2-b]pyridine;[1]benzofuro[3,2-c]pyridine;bis(tert-butylbenzene);bis(dibenzofuran);ethane;naphthalene;bis(8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene);pyridine;toluene is sourced from PubChem (CID 159220756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).