(Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile

C197H133N15S5 — CID 158754583

IUPAC(Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile
SMILES[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(C)c(C)c(C)c3)cc1C2(C)C.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(C)cc3)c3ccc(-c4ccccc4)cc3)cc1C2(C)C.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccccc3)c3ccccc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C43H25N3S.C41H27N3S.C39H23N3S.C38H31N3S.C36H27N3S/c1-45-30(27-44)24-34-26-41-42(47-34)37-22-21-33(25-40(37)43(41)38-17-9-7-15-35(38)36-16-8-10-18-39(36)43)46(31-13-3-2-4-14-31)32-20-19-28-11-5-6-12-29(28)23-32;1-26-12-16-29(17-13-26)44(30-18-14-27(2)15-19-30)31-20-21-35-38(23-31)41(39-24-32(45-40(35)39)22-28(25-42)43-3)36-10-6-4-8-33(36)34-9-5-7-11-37(34)41;1-41-26(25-40)22-30-24-37-38(43-30)33-21-20-29(42(27-12-4-2-5-13-27)28-14-6-3-7-15-28)23-36(33)39(37)34-18-10-8-16-31(34)32-17-9-11-19-35(32)39;1-24-18-32(19-25(2)26(24)3)41(30-14-12-28(13-15-30)27-10-8-7-9-11-27)31-16-17-34-35(21-31)38(4,5)36-22-33(42-37(34)36)20-29(23-39)40-6;1-24-10-14-28(15-11-24)39(29-16-12-26(13-17-29)25-8-6-5-7-9-25)30-18-19-32-33(21-30)36(2,3)34-22-31(40-35(32)34)20-27(23-37)38-4/h2-26H;4-24H,1-2H3;2-24H;7-22H,1-5H3;5-22H,1-3H3/b30-24-;28-22-;26-22-;29-20-;27-20-
InChIKeyINXDPXWIHNAUGJ-MFRIYZEDSA-N
MW2870.67 g/mol
LogP53.99
Rot. Bonds22

About (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile

(Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile (PubChem CID 158754583) has the molecular formula C197H133N15S5 and a molecular weight of 2870.67 g/mol. Its IUPAC name is (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile
PubChem CID158754583
Molecular FormulaC197H133N15S5
Molecular Weight2870.67 g/mol
Exact Mass2867.95
IUPAC Name(Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile
SMILES[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(C)c(C)c(C)c3)cc1C2(C)C.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(C)cc3)c3ccc(-c4ccccc4)cc3)cc1C2(C)C.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccccc3)c3ccccc3)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C43H25N3S.C41H27N3S.C39H23N3S.C38H31N3S.C36H27N3S/c1-45-30(27-44)24-34-26-41-42(47-34)37-22-21-33(25-40(37)43(41)38-17-9-7-15-35(38)36-16-8-10-18-39(36)43)46(31-13-3-2-4-14-31)32-20-19-28-11-5-6-12-29(28)23-32;1-26-12-16-29(17-13-26)44(30-18-14-27(2)15-19-30)31-20-21-35-38(23-31)41(39-24-32(45-40(35)39)22-28(25-42)43-3)36-10-6-4-8-33(36)34-9-5-7-11-37(34)41;1-41-26(25-40)22-30-24-37-38(43-30)33-21-20-29(42(27-12-4-2-5-13-27)28-14-6-3-7-15-28)23-36(33)39(37)34-18-10-8-16-31(34)32-17-9-11-19-35(32)39;1-24-18-32(19-25(2)26(24)3)41(30-14-12-28(13-15-30)27-10-8-7-9-11-27)31-16-17-34-35(21-31)38(4,5)36-22-33(42-37(34)36)20-29(23-39)40-6;1-24-10-14-28(15-11-24)39(29-16-12-26(13-17-29)25-8-6-5-7-9-25)30-18-19-32-33(21-30)36(2,3)34-22-31(40-35(32)34)20-27(23-37)38-4/h2-26H;4-24H,1-2H3;2-24H;7-22H,1-5H3;5-22H,1-3H3/b30-24-;28-22-;26-22-;29-20-;27-20-
InChIKeyINXDPXWIHNAUGJ-MFRIYZEDSA-N
XLogP53.99
TPSA156.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002870.67
LogP ≤ 553.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile with MolForge

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Related Compounds

2-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]propanedinitrile
CID 138500631
N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-phenylphenyl]phenyl]-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 177287831
2-[[7,7-dimethyl-10-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)-3-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-4-yl]methylidene]propanedinitrile
CID 138500752
N-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298615
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 159277713
N-(9,9-dimethylfluoren-2-yl)-2-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 118298490
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 146247595
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
N-[4-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158116026
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile?
The IUPAC name of (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile (CID 158754583) is (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile is [C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(C)c(C)c(C)c3)cc1C2(C)C.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(C)cc3)c3ccc(-c4ccccc4)cc3)cc1C2(C)C.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc1C21c2ccccc2-c2ccccc21.[C-]#[N+]/C(C#N)=C\c1cc2c(s1)-c1ccc(N(c3ccccc3)c3ccccc3)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile?
The InChIKey is INXDPXWIHNAUGJ-MFRIYZEDSA-N. The full InChI is InChI=1S/C43H25N3S.C41H27N3S.C39H23N3S.C38H31N3S.C36H27N3S/c1-45-30(27-44)24-34-26-41-42(47-34)37-22-21-33(25-40(37)43(41)38-17-9-7-15-35(38)36-16-8-10-18-39(36)43)46(31-13-3-2-4-14-31)32-20-19-28-11-5-6-12-29(28)23-32;1-26-12-16-29(17-13-26)44(30-18-14-27(2)15-19-30)31-20-21-35-38(23-31)41(39-24-32(45-40(35)39)22-28(25-42)43-3)36-10-6-4-8-33(36)34-9-5-7-11-37(34)41;1-41-26(25-40)22-30-24-37-38(43-30)33-21-20-29(42(27-12-4-2-5-13-27)28-14-6-3-7-15-28)23-36(33)39(37)34-18-10-8-16-31(34)32-17-9-11-19-35(32)39;1-24-18-32(19-25(2)26(24)3)41(30-14-12-28(13-15-30)27-10-8-7-9-11-27)31-16-17-34-35(21-31)38(4,5)36-22-33(42-37(34)36)20-29(23-39)40-6;1-24-10-14-28(15-11-24)39(29-16-12-26(13-17-29)25-8-6-5-7-9-25)30-18-19-32-33(21-30)36(2,3)34-22-31(40-35(32)34)20-27(23-37)38-4/h2-26H;4-24H,1-2H3;2-24H;7-22H,1-5H3;5-22H,1-3H3/b30-24-;28-22-;26-22-;29-20-;27-20-.
What are the key properties of (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile?
(Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile has a molecular weight of 2870.67 g/mol, XLogP of 53.99, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4,4-dimethyl-6-(4-methyl-N-(4-phenylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-3-[4,4-dimethyl-6-(4-phenyl-N-(3,4,5-trimethylphenyl)anilino)indeno[1,2-b]thiophen-2-yl]-2-isocyanoprop-2-enenitrile;(Z)-2-isocyano-3-[6'-(4-methyl-N-(4-methylphenyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile;(Z)-2-isocyano-3-[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]prop-2-enenitrile is sourced from PubChem (CID 158754583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).