N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran

C220H280N6O4S — CID 159968056

IUPACN,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.[C-]#[N+]C(C#N)=C1c2ccccc2Oc2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2oc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H20O.C28H20O.C20H12.C18H15N.C16H8N2O.C16H10.C13H11NO.C13H11NS.C13H11N.27C2H6/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18-13(10-17)16-11-6-2-4-8-14(11)19-15-9-5-3-7-12(15)16;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;27*1-2/h1-20H;1-20H;1-12H;1-15H;2-9H;1-10H;2*2-9H,1H3;2-9H,1H3;27*1-2H3
InChIKeyOEEOINXXCSXGFS-UHFFFAOYSA-N
MW3104.76 g/mol
LogP72.73
Rot. Bonds11

About N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran

N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran (PubChem CID 159968056) has the molecular formula C220H280N6O4S and a molecular weight of 3104.76 g/mol. Its IUPAC name is N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran.

Molecular Properties

Compound NameN,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran
PubChem CID159968056
Molecular FormulaC220H280N6O4S
Molecular Weight3104.76 g/mol
Exact Mass3102.16
IUPAC NameN,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.[C-]#[N+]C(C#N)=C1c2ccccc2Oc2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2oc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H20O.C28H20O.C20H12.C18H15N.C16H8N2O.C16H10.C13H11NO.C13H11NS.C13H11N.27C2H6/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18-13(10-17)16-11-6-2-4-8-14(11)19-15-9-5-3-7-12(15)16;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;27*1-2/h1-20H;1-20H;1-12H;1-15H;2-9H;1-10H;2*2-9H,1H3;2-9H,1H3;27*1-2H3
InChIKeyOEEOINXXCSXGFS-UHFFFAOYSA-N
XLogP72.73
TPSA91.47 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms231
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003104.76
LogP ≤ 572.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran 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

(2E)-2-[2-[(E)-2-(4-carbazol-9-ylphenyl)ethenyl]-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-6-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenothiazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile;(2E)-2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-[(E)-2-(4-phenoxazin-10-ylphenyl)ethenyl]pyran-4-ylidene]-2-isocyanoacetonitrile
CID 159992221
14-(3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;11-(3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaenyl)-5,6-dihydrobenzo[b][1]benzazepine;bis(10-(3,15-diphenyl-8-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17,19,21(25),22-tridecaenyl)phenothiazine);methane;14-methyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene;11-methyl-5,6-dihydrobenzo[b][1]benzazepine;bis(10-methylphenothiazine)
CID 159748272
N-[4-(7-methylbenzo[c]carbazol-11-yl)phenyl]-N,4-diphenylaniline
CID 126631257
4-[2-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
CID 122430965
2-[6-[cyano(isocyano)methylidene]-2,5-diethyl-1,4-bis[4-(N-naphthalen-1-ylanilino)phenyl]pyrrolo[3,4-c]pyrrol-3-ylidene]-2-isocyanoacetonitrile
CID 72649480
3-carbazol-9-yl-6,9-dimethylcarbazole;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenothiazine;3-(3,6-dimethylcarbazol-9-yl)-10-methylphenoxazine;3,7-dimethyl-10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine;10-methyl-N-(4-methylphenyl)-N-phenylphenothiazin-3-amine;10-methyl-N-(4-methylphenyl)-N-phenylphenoxazin-3-amine;7,9,9,10-tetramethyl-N,N-diphenylacridin-2-amine;9,9,10-trimethyl-N-(4-methylphenyl)-N-phenylacridin-2-amine
CID 159629658
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510
N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-2-amine
CID 170399133
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;N,9-diphenyl-N-[4-[2-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;N,9-diphenyl-N-[4-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]carbazol-2-amine;9-methyl-N-[3-[2-[3-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine;9-methyl-N-[4-[2-[4-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine;9-methyl-N-[4-[3-[4-(N-(9-methylcarbazol-2-yl)anilino)phenyl]phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 158692781
N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N,4-diphenylaniline
CID 167322731
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;(2Z)-2-[(10E)-10-[cyano(isocyano)methylidene]-2-methoxy-8-(trifluoromethoxy)indeno[2,1-b]fluoren-12-ylidene]-2-isocyanoacetonitrile;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 158418453

Frequently Asked Questions

What is the IUPAC name of N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran?
The IUPAC name of N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran (CID 159968056) is N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran.
What is the SMILES notation for N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran?
The canonical SMILES for N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2Sc2ccccc21.Cn1c2ccccc2c2ccccc21.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.[C-]#[N+]C(C#N)=C1c2ccccc2Oc2ccccc21.c1cc2ccc3cccc4ccc(c1)c2c34.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.c1ccc(-c2oc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran?
The InChIKey is OEEOINXXCSXGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20O.C28H20O.C20H12.C18H15N.C16H8N2O.C16H10.C13H11NO.C13H11NS.C13H11N.27C2H6/c30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23;1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-18-13(10-17)16-11-6-2-4-8-14(11)19-15-9-5-3-7-12(15)16;1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;27*1-2/h1-20H;1-20H;1-12H;1-15H;2-9H;1-10H;2*2-9H,1H3;2-9H,1H3;27*1-2H3.
What are the key properties of N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran?
N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran has a molecular weight of 3104.76 g/mol, XLogP of 72.73, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenylaniline;ethane;2-isocyano-2-xanthen-9-ylideneacetonitrile;9-methylcarbazole;10-methylphenothiazine;10-methylphenoxazine;perylene;pyrene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one;2,3,4,5-tetraphenylfuran is sourced from PubChem (CID 159968056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).