benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene

C119H153N9O5P2 — CID 159859551

IUPACbenzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene
SMILESCC.CC.CC.CC.CN.CN.CN.CN.CN.CN.CN.CN.CNC.CP(=O)(c1ccccc1)c1ccccc1.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H18.C20H14O2.C18H15OP.C13H13OP.C13H12.C12H10O.C2H7N.4C2H6.8CH5N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;12*1-2/h1-18H;1-14H;1-15H;2-11H,1H3;1-10H,11H2;1-10H;3H,1-2H3;4*1-2H3;8*2H2,1H3
InChIKeyNQYQAPPVGLZXLC-UHFFFAOYSA-N
MW1851.54 g/mol
LogP23.45
Rot. Bonds13

About benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene

benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene (PubChem CID 159859551) has the molecular formula C119H153N9O5P2 and a molecular weight of 1851.54 g/mol. Its IUPAC name is benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene.

Molecular Properties

Compound Namebenzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene
PubChem CID159859551
Molecular FormulaC119H153N9O5P2
Molecular Weight1851.54 g/mol
Exact Mass1850.15
IUPAC Namebenzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene
SMILESCC.CC.CC.CC.CN.CN.CN.CN.CN.CN.CN.CN.CNC.CP(=O)(c1ccccc1)c1ccccc1.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H18.C20H14O2.C18H15OP.C13H13OP.C13H12.C12H10O.C2H7N.4C2H6.8CH5N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;12*1-2/h1-18H;1-14H;1-15H;2-11H,1H3;1-10H,11H2;1-10H;3H,1-2H3;4*1-2H3;8*2H2,1H3
InChIKeyNQYQAPPVGLZXLC-UHFFFAOYSA-N
XLogP23.45
TPSA289.86 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001851.54
LogP ≤ 523.45
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene with MolForge

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Related Compounds

3,3-bis(4-phenoxyphenyl)-2-benzofuran-1-one
CID 10920180
benzene;benzylbenzene;octakis(2,2-dimethylpropane);9,9-diphenylfluorene;ethane;naphthalene
CID 160693134
3-(4-ethylphenyl)-3-[4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]phenyl]-2-benzofuran-1-one
CID 164975256
3,3-bis[3-(methoxymethyl)phenyl]-2-benzofuran-1-one
CID 138632201
1-diphenylphosphoryl-4-[(4-diphenylphosphorylphenyl)methyl]benzene;ethane
CID 160886061
bis(9,9-diphenylfluorene);ethane;propane
CID 144938803
3,3-bis[4-[(2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl)oxy]phenyl]-2-benzofuran-1-one
CID 102434418
benzene;benzylbenzene;2,2-difluoropropane;2,2-dimethylbutane;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;naphthalene;(1-phenylcyclohexyl)benzene;propane;1,1,3-trimethyl-3-phenyl-2H-indene
CID 160785697
9,9-diphenylfluorene;propane
CID 158205050
9,9-diphenylfluorene;methoxymethane
CID 143139467
N-[4-[4-[9-[4-(4-acetamidophenoxy)phenyl]fluoren-9-yl]phenoxy]phenyl]acetamide
CID 158305023
benzylbenzene;1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,1'-biphenyl;1,3-dibenzylbenzene;1,4-dibenzylbenzene;9,9-diphenylfluorene;ethane;2-phenylpropan-2-ylbenzene
CID 160849970

Frequently Asked Questions

What is the IUPAC name of benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene?
The IUPAC name of benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene (CID 159859551) is benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene.
What is the SMILES notation for benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene?
The canonical SMILES for benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene is CC.CC.CC.CC.CN.CN.CN.CN.CN.CN.CN.CN.CNC.CP(=O)(c1ccccc1)c1ccccc1.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.c1ccc(Cc2ccccc2)cc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene?
The InChIKey is NQYQAPPVGLZXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C20H14O2.C18H15OP.C13H13OP.C13H12.C12H10O.C2H7N.4C2H6.8CH5N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)23-17-9-7-15-21(23)22-16-8-10-18-24(22)25;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-2;12*1-2/h1-18H;1-14H;1-15H;2-11H,1H3;1-10H,11H2;1-10H;3H,1-2H3;4*1-2H3;8*2H2,1H3.
What are the key properties of benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene?
benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene has a molecular weight of 1851.54 g/mol, XLogP of 23.45, 13 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for benzylbenzene;3,3-diphenyl-2-benzofuran-1-one;9,9-diphenylfluorene;diphenylphosphorylbenzene;ethane;methanamine;N-methylmethanamine;[methyl(phenyl)phosphoryl]benzene;phenoxybenzene is sourced from PubChem (CID 159859551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).