bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane

C194H248N16O6 — CID 158556368

IUPACbis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane
SMILESC.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1c2cc(-c3ccccc3)ccc2Nc2ccccc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccccc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2cccnc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2cccnc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccncc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccncc2N1Cc1ccccc1
InChIInChI=1S/2C26H20N2O.4C25H19N3O.18C2H6.6CH4/c2*29-26-22-17-21(20-11-5-2-6-12-20)15-16-23(22)27-24-13-7-8-14-25(24)28(26)18-19-9-3-1-4-10-19;2*29-25-21-16-20(19-10-5-2-6-11-19)13-14-22(21)27-23-12-7-15-26-24(23)28(25)17-18-8-3-1-4-9-18;2*29-25-21-15-20(19-9-5-2-6-10-19)11-12-22(21)27-23-13-14-26-16-24(23)28(25)17-18-7-3-1-4-8-18;18*1-2;;;;;;/h2*1-17,27H,18H2;4*1-16,27H,17H2;18*1-2H3;6*1H4
InChIKeyHQIPTQGFAWNJIP-UHFFFAOYSA-N
MW2900.22 g/mol
LogP57.41
Rot. Bonds18

About bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane

bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane (PubChem CID 158556368) has the molecular formula C194H248N16O6 and a molecular weight of 2900.22 g/mol. Its IUPAC name is bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane.

Molecular Properties

Compound Namebis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane
PubChem CID158556368
Molecular FormulaC194H248N16O6
Molecular Weight2900.22 g/mol
Exact Mass2897.96
IUPAC Namebis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane
SMILESC.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1c2cc(-c3ccccc3)ccc2Nc2ccccc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccccc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2cccnc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2cccnc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccncc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccncc2N1Cc1ccccc1
InChIInChI=1S/2C26H20N2O.4C25H19N3O.18C2H6.6CH4/c2*29-26-22-17-21(20-11-5-2-6-12-20)15-16-23(22)27-24-13-7-8-14-25(24)28(26)18-19-9-3-1-4-10-19;2*29-25-21-16-20(19-10-5-2-6-11-19)13-14-22(21)27-23-12-7-15-26-24(23)28(25)17-18-8-3-1-4-9-18;2*29-25-21-15-20(19-9-5-2-6-10-19)11-12-22(21)27-23-13-14-26-16-24(23)28(25)17-18-7-3-1-4-8-18;18*1-2;;;;;;/h2*1-17,27H,18H2;4*1-16,27H,17H2;18*1-2H3;6*1H4
InChIKeyHQIPTQGFAWNJIP-UHFFFAOYSA-N
XLogP57.41
TPSA245.60 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002900.22
LogP ≤ 557.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane with MolForge

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Related Compounds

5-benzyl-8-(1-methylpyrazol-4-yl)-11H-benzo[b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[2,3-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[3,4-b][1,4]benzodiazepin-6-one;5-benzyl-8-(1-methylpyrazol-4-yl)-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one;ethane
CID 159758997
5-benzyl-8-phenoxy-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one
CID 155364677
N-[5-benzyl-8-(4-methylphenyl)-6-oxo-11H-benzo[b][1,4]benzodiazepin-3-yl]prop-2-enamide
CID 139445138
5-benzyl-3-fluoro-8-(4-piperazin-1-ylphenyl)-11H-benzo[b][1,4]benzodiazepin-6-one
CID 155338585
10-benzyl-6-phenyl-2,10,13-triazatricyclo[9.5.0.03,8]hexadeca-1(16),3(8),4,6,11,13,14-heptaen-9-one
CID 176533522
5-benzyl-8-(1H-indol-5-yl)-3-(2-oxobutyl)-11H-benzo[b][1,4]benzodiazepin-6-one
CID 159099996
5-benzyl-8-bromo-3-nitro-11H-benzo[b][1,4]benzodiazepin-6-one
CID 155338349
2-[(4-phenylphenyl)methyl]isoindole-1,3-dione
CID 7663732
1-(pyridin-3-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62876131
(3Z)-3-[(Z)-(1-benzyl-2-oxopyrrolo[2,3-b]pyridin-3-ylidene)hydrazinylidene]-1-ethylpyrrolo[2,3-b]pyridin-2-one
CID 130387571
5-[(3-chlorophenyl)methyl]-3-fluoro-8-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-11H-benzo[b][1,4]benzodiazepin-6-one
CID 155354943
2-ethyl-13-nitro-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 19711124

Frequently Asked Questions

What is the IUPAC name of bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane?
The IUPAC name of bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane (CID 158556368) is bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane.
What is the SMILES notation for bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane?
The canonical SMILES for bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane is C.C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1c2cc(-c3ccccc3)ccc2Nc2ccccc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccccc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2cccnc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2cccnc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccncc2N1Cc1ccccc1.O=C1c2cc(-c3ccccc3)ccc2Nc2ccncc2N1Cc1ccccc1.
What is the InChIKey of bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane?
The InChIKey is HQIPTQGFAWNJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20N2O.4C25H19N3O.18C2H6.6CH4/c2*29-26-22-17-21(20-11-5-2-6-12-20)15-16-23(22)27-24-13-7-8-14-25(24)28(26)18-19-9-3-1-4-10-19;2*29-25-21-16-20(19-10-5-2-6-11-19)13-14-22(21)27-23-12-7-15-26-24(23)28(25)17-18-8-3-1-4-9-18;2*29-25-21-15-20(19-9-5-2-6-10-19)11-12-22(21)27-23-13-14-26-16-24(23)28(25)17-18-7-3-1-4-8-18;18*1-2;;;;;;/h2*1-17,27H,18H2;4*1-16,27H,17H2;18*1-2H3;6*1H4.
What are the key properties of bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane?
bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane has a molecular weight of 2900.22 g/mol, XLogP of 57.41, 18 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-benzyl-8-phenyl-11H-benzo[b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[3,2-b][1,4]benzodiazepin-6-one);bis(5-benzyl-8-phenyl-11H-pyrido[4,3-b][1,4]benzodiazepin-6-one);ethane;methane is sourced from PubChem (CID 158556368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).