1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane

C230H222N20O2S2 — CID 159528176

IUPAC1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccc3ccccc3n2)c2ccc(N(c3ccccc3)c3ccc4ccccc4n3)c3ccccc23)cc1.c1ccc(N(c2ccc[nH]2)c2ccc(N(c3ccccc3)c3ccc[nH]3)c3ccccc23)cc1.c1ccc(N(c2ccccn2)c2ccc(N(c3ccccc3)c3ccccn3)c3ccccc23)cc1.c1ccc(N(c2ccco2)c2ccc(N(c3ccccc3)c3ccco3)c3ccccc23)cc1.c1ccc(N(c2cccs2)c2c3ccccc3c(N(c3ccccc3)c3cccs3)c3ccccc23)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc(N(c3ccccc3)c3nccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/2C40H28N4.C34H24N2S2.C32H24N4.C30H24N4.C30H22N2O2.12C2H6/c1-3-15-31(16-4-1)43(39-27-23-29-13-7-11-21-35(29)41-39)37-25-26-38(34-20-10-9-19-33(34)37)44(32-17-5-2-6-18-32)40-28-24-30-14-8-12-22-36(30)42-40;1-3-15-31(16-4-1)43(39-33-19-9-7-13-29(33)25-27-41-39)37-23-24-38(36-22-12-11-21-35(36)37)44(32-17-5-2-6-18-32)40-34-20-10-8-14-30(34)26-28-42-40;1-3-13-25(14-4-1)35(31-21-11-23-37-31)33-27-17-7-9-19-29(27)34(30-20-10-8-18-28(30)33)36(32-22-12-24-38-32)26-15-5-2-6-16-26;1-3-13-25(14-4-1)35(31-19-9-11-23-33-31)29-21-22-30(28-18-8-7-17-27(28)29)36(26-15-5-2-6-16-26)32-20-10-12-24-34-32;1-3-11-23(12-4-1)33(29-17-9-21-31-29)27-19-20-28(26-16-8-7-15-25(26)27)34(30-18-10-22-32-30)24-13-5-2-6-14-24;1-3-11-23(12-4-1)31(29-17-9-21-33-29)27-19-20-28(26-16-8-7-15-25(26)27)32(30-18-10-22-34-30)24-13-5-2-6-14-24;12*1-2/h2*1-28H;1-24H;1-24H;1-22,31-32H;1-22H;12*1-2H3
InChIKeyMCQKNSRPTOSVOB-UHFFFAOYSA-N
MW3362.58 g/mol
LogP71.09
Rot. Bonds36

About 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane

1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane (PubChem CID 159528176) has the molecular formula C230H222N20O2S2 and a molecular weight of 3362.58 g/mol. Its IUPAC name is 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane.

Molecular Properties

Compound Name1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane
PubChem CID159528176
Molecular FormulaC230H222N20O2S2
Molecular Weight3362.58 g/mol
Exact Mass3359.73
IUPAC Name1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccc3ccccc3n2)c2ccc(N(c3ccccc3)c3ccc4ccccc4n3)c3ccccc23)cc1.c1ccc(N(c2ccc[nH]2)c2ccc(N(c3ccccc3)c3ccc[nH]3)c3ccccc23)cc1.c1ccc(N(c2ccccn2)c2ccc(N(c3ccccc3)c3ccccn3)c3ccccc23)cc1.c1ccc(N(c2ccco2)c2ccc(N(c3ccccc3)c3ccco3)c3ccccc23)cc1.c1ccc(N(c2cccs2)c2c3ccccc3c(N(c3ccccc3)c3cccs3)c3ccccc23)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc(N(c3ccccc3)c3nccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/2C40H28N4.C34H24N2S2.C32H24N4.C30H24N4.C30H22N2O2.12C2H6/c1-3-15-31(16-4-1)43(39-27-23-29-13-7-11-21-35(29)41-39)37-25-26-38(34-20-10-9-19-33(34)37)44(32-17-5-2-6-18-32)40-28-24-30-14-8-12-22-36(30)42-40;1-3-15-31(16-4-1)43(39-33-19-9-7-13-29(33)25-27-41-39)37-23-24-38(36-22-12-11-21-35(36)37)44(32-17-5-2-6-18-32)40-34-20-10-8-14-30(34)26-28-42-40;1-3-13-25(14-4-1)35(31-21-11-23-37-31)33-27-17-7-9-19-29(27)34(30-20-10-8-18-28(30)33)36(32-22-12-24-38-32)26-15-5-2-6-16-26;1-3-13-25(14-4-1)35(31-19-9-11-23-33-31)29-21-22-30(28-18-8-7-17-27(28)29)36(26-15-5-2-6-16-26)32-20-10-12-24-34-32;1-3-11-23(12-4-1)33(29-17-9-21-31-29)27-19-20-28(26-16-8-7-15-25(26)27)34(30-18-10-22-32-30)24-13-5-2-6-14-24;1-3-11-23(12-4-1)31(29-17-9-21-33-29)27-19-20-28(26-16-8-7-15-25(26)27)32(30-18-10-22-34-30)24-13-5-2-6-14-24;12*1-2/h2*1-28H;1-24H;1-24H;1-22,31-32H;1-22H;12*1-2H3
InChIKeyMCQKNSRPTOSVOB-UHFFFAOYSA-N
XLogP71.09
TPSA174.08 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003362.58
LogP ≤ 571.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane with MolForge

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Related Compounds

9-N,10-N-bis(furan-2-yl)-2,3,6-trimethyl-9-N,10-N-diphenylanthracene-9,10-diamine;ethane;2,3,6-trimethyl-9-N,10-N-bis(1-methylpyrrol-2-yl)-9-N,10-N-diphenylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-di(quinolin-2-yl)anthracene-9,10-diamine;2,3,6-trimethyl-9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;2,3,6-trimethyl-9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 157116965
Benzene;cyclohexane;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;furan;9-methylcarbazole;2-methylpyrimidine;naphthalene;phenanthrene;pyridazine;pyridine;thiophene;2,4,6-trimethyl-1,3,5-triazine
CID 157373722
2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline
CID 157394651
anthracene;benzene;benzhydrylbenzene;benzo[a]pyrene;1-benzothiophene;9bH-phenalene;chrysene;17H-cyclopenta[a]phenanthrene;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indene;1H-indole;isoquinoline;naphthalene;1,3-oxazole;perylene;phenanthrene;7H-purine;pyrazine;pyrene;pyridine;pyrimidine;1H-pyrrole;quinoline;tetracene;1,3-thiazole;thiophene;1,3,5-triazine
CID 157587586
1-[(3R)-3-[[6-(2-cyclohexylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-[2-(furan-3-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;bis(1-[(3R)-3-[[6-[2-(1H-inden-5-yl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one);1-[(3R)-3-[[6-(2-quinolin-6-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-2-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;1-[(3R)-3-[[6-(2-thiophen-3-ylethynyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one
CID 158609245
2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(5-piperazin-1-ylthiophen-2-yl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;N-[5-(furan-2-yl)-2-methylphenyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 158727198
2-N,6-N-bis(furan-2-yl)-9,10-dimethyl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine;9,10-dimethyl-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine
CID 158877370
1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalene;2,5-dimethyl-1,3,4-oxadiazole;2,5-dimethyl-1,3,4-thiadiazole;ethane;furan;9-methylcarbazole;methylcyclohexane;bis(2-methylpyridine);naphthalene;phenanthrene;pyridazine;thiophene;toluene;2,4,6-trimethyl-1,3,5-triazine
CID 159001412
2-N,6-N-bis(furan-2-yl)-9,10-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine;9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(4-phenylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine
CID 159062308
2-propan-2-yl-1H-benzimidazole;bis(3-propan-2-ylfuran);1-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;4-propan-2-ylquinazoline;2-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-ylthiophene
CID 159169681
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butylpyrazine;bis(2-tert-butylpyridine);3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;6-tert-butylquinazoline;7-tert-butylquinazoline;8-tert-butylquinazoline;5-tert-butylquinoxaline;6-tert-butylquinoxaline;2-tert-butylthiophene;3-tert-butylthiophene
CID 159226129
9,10-ditert-butyl-2-N,6-N-bis(furan-2-yl)-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine;9,10-ditert-butyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-ditert-butyl-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-ditert-butyl-2-N,2-N,6-N,6-N-tetrakis(1,3,5-triazin-2-yl)anthracene-2,6-diamine;9,10-ditert-butyl-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-ditert-butyl-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine;9,10-ditert-butyl-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-dinaphthalen-2-yl-2-N,6-N-dipyridin-3-yl-2-N,6-N-dithiophen-2-ylanthracene-2,6-diamine
CID 159295667

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane?
The IUPAC name of 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane (CID 159528176) is 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane.
What is the SMILES notation for 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane?
The canonical SMILES for 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc(N(c2ccc3ccccc3n2)c2ccc(N(c3ccccc3)c3ccc4ccccc4n3)c3ccccc23)cc1.c1ccc(N(c2ccc[nH]2)c2ccc(N(c3ccccc3)c3ccc[nH]3)c3ccccc23)cc1.c1ccc(N(c2ccccn2)c2ccc(N(c3ccccc3)c3ccccn3)c3ccccc23)cc1.c1ccc(N(c2ccco2)c2ccc(N(c3ccccc3)c3ccco3)c3ccccc23)cc1.c1ccc(N(c2cccs2)c2c3ccccc3c(N(c3ccccc3)c3cccs3)c3ccccc23)cc1.c1ccc(N(c2nccc3ccccc23)c2ccc(N(c3ccccc3)c3nccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane?
The InChIKey is MCQKNSRPTOSVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H28N4.C34H24N2S2.C32H24N4.C30H24N4.C30H22N2O2.12C2H6/c1-3-15-31(16-4-1)43(39-27-23-29-13-7-11-21-35(29)41-39)37-25-26-38(34-20-10-9-19-33(34)37)44(32-17-5-2-6-18-32)40-28-24-30-14-8-12-22-36(30)42-40;1-3-15-31(16-4-1)43(39-33-19-9-7-13-29(33)25-27-41-39)37-23-24-38(36-22-12-11-21-35(36)37)44(32-17-5-2-6-18-32)40-34-20-10-8-14-30(34)26-28-42-40;1-3-13-25(14-4-1)35(31-21-11-23-37-31)33-27-17-7-9-19-29(27)34(30-20-10-8-18-28(30)33)36(32-22-12-24-38-32)26-15-5-2-6-16-26;1-3-13-25(14-4-1)35(31-19-9-11-23-33-31)29-21-22-30(28-18-8-7-17-27(28)29)36(26-15-5-2-6-16-26)32-20-10-12-24-34-32;1-3-11-23(12-4-1)33(29-17-9-21-31-29)27-19-20-28(26-16-8-7-15-25(26)27)34(30-18-10-22-32-30)24-13-5-2-6-14-24;1-3-11-23(12-4-1)31(29-17-9-21-33-29)27-19-20-28(26-16-8-7-15-25(26)27)32(30-18-10-22-34-30)24-13-5-2-6-14-24;12*1-2/h2*1-28H;1-24H;1-24H;1-22,31-32H;1-22H;12*1-2H3.
What are the key properties of 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane?
1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane has a molecular weight of 3362.58 g/mol, XLogP of 71.09, 36 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(furan-2-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-di(isoquinolin-1-yl)-1-N,4-N-diphenylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-bis(1H-pyrrol-2-yl)naphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-dipyridin-2-ylnaphthalene-1,4-diamine;1-N,4-N-diphenyl-1-N,4-N-di(quinolin-2-yl)naphthalene-1,4-diamine;9-N,10-N-diphenyl-9-N,10-N-dithiophen-2-ylanthracene-9,10-diamine;ethane is sourced from PubChem (CID 159528176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).