benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline

C186H202N10O8 — CID 159112185

About benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline

benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline (PubChem CID 159112185) has the molecular formula C186H202N10O8 and a molecular weight of 2705.72 g/mol. Its IUPAC name is benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

• Compound Name: benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline
• PubChem CID: 159112185
• Molecular Formula: C186H202N10O8
• Molecular Weight: 2705.72 g/mol
• Exact Mass: 2703.57
• IUPAC Name: benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline
• SMILES: C1=Cc2ccccc2C1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)NCCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccccc1
• InChI: InChI=1S/C13H10.3C10H13N.C10H12.C10H8.2C9H11N.2C9H10O.C9H10.C9H8.C8H10N2.C8H9NO.2C8H9N.3C8H8O.C7H6O2.C6H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1/h1-8H,9H2;1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;1-4,11H,5-8H2;1-2,5-6H,3-4,7-8H2;1-8H;1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-6H,7H2;1-4,9-10H,5-6H2;1-4,9H,5-6H2;2*1-4,9H,5-6H2;3*1-4H,5-6H2;1-4H,5H2;1-6H
• InChIKey: KEQDOMYWWXIQRS-UHFFFAOYSA-N
• XLogP: 39.80
• TPSA: 194.14 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2705.72
LogP ≤ 5	39.80
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline?

The IUPAC name of benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline (CID 159112185) is benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline.

What is the SMILES notation for benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline?

The canonical SMILES for benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline is C1=Cc2ccccc2C1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCNC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCNCC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)NCCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)OCO2.c1ccc2ccccc2c1.c1ccccc1.

What is the InChIKey of benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline?

The InChIKey is KEQDOMYWWXIQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.3C10H13N.C10H12.C10H8.2C9H11N.2C9H10O.C9H10.C9H8.C8H10N2.C8H9NO.2C8H9N.3C8H8O.C7H6O2.C6H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;2*1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1/h1-8H,9H2;1-2,5,7,11H,3-4,6,8H2;1-2,4-5,11H,3,6-8H2;1-4,11H,5-8H2;1-2,5-6H,3-4,7-8H2;1-8H;1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-6H,7H2;1-4,9-10H,5-6H2;1-4,9H,5-6H2;2*1-4,9H,5-6H2;3*1-4H,5-6H2;1-4H,5H2;1-6H.

What are the key properties of benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline?

benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline has a molecular weight of 2705.72 g/mol, XLogP of 39.80, 0 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1,3-benzodioxole;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;3,4-dihydro-1H-isochromene;2,3-dihydro-1H-isoindole;9H-fluorene;1H-indene;naphthalene;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-2-benzazepine;2,3,4,5-tetrahydro-1H-3-benzazepine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydronaphthalene;1,2,3,4-tetrahydroquinoline;1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 159112185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).