C272H251N31O11 — CID 172955320
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-methyl-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[naphthalen-2-yl(oxiran-2-ylmethyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline;4-methyl-N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]aniline;N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalen-2-amine;4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline (PubChem CID 172955320) has the molecular formula C272H251N31O11 and a molecular weight of 4130.21 g/mol. Its IUPAC name is N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-methyl-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[naphthalen-2-yl(oxiran-2-ylmethyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline;4-methyl-N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]aniline;N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalen-2-amine;4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline.
| Compound Name | N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-methyl-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[naphthalen-2-yl(oxiran-2-ylmethyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline;4-methyl-N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]aniline;N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalen-2-amine;4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline |
|---|---|
| PubChem CID | 172955320 |
| Molecular Formula | C272H251N31O11 |
| Molecular Weight | 4130.21 g/mol |
| Exact Mass | 4127.00 |
| IUPAC Name | N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-methyl-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)aniline;N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[naphthalen-2-yl(oxiran-2-ylmethyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)naphthalen-2-amine;N-[(E)-[9-ethyl-6-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]carbazol-3-yl]methylideneamino]-N-(oxiran-2-ylmethyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]phenyl]aniline;4-methyl-N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]aniline;N-(oxiran-2-ylmethyl)-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalen-2-amine;4-[(E)-[oxiran-2-ylmethyl(phenyl)hydrazinylidene]methyl]-N,N-diphenylaniline |
| SMILES | C(=N/N(CC1CO1)c1ccc2ccccc2c1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.C(=N/N(CC1CO1)c1ccccc1)\c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCn1c2ccc(/C=N/N(CC3CO3)c3ccc4ccccc4c3)cc2c2cc(/C=N/N(CC3CO3)c3ccc4ccccc4c3)ccc21.CCn1c2ccc(/C=N/N(CC3CO3)c3ccccc3)cc2c2cc(/C=N/N(CC3CO3)c3ccccc3)ccc21.CCn1c2ccccc2c2cc(/C=N/N(CC3CO3)c3ccc(C)cc3)ccc21.CCn1c2ccccc2c2cc(/C=N/N(CC3CO3)c3ccc4ccccc4c3)ccc21.CCn1c2ccccc2c2cc(/C=N/N(CC3CO3)c3ccccc3)ccc21.Cc1ccc(N(CC2CO2)/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=N/N(CC3CO3)c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C42H37N5O2.C34H33N5O2.C32H27N3O.C30H29N3O.C29H27N3O.2C28H25N3O.C25H25N3O.C24H23N3O/c1-2-45-41-17-11-29(23-43-46(25-37-27-48-37)35-15-13-31-7-3-5-9-33(31)21-35)19-39(41)40-20-30(12-18-42(40)45)24-44-47(26-38-28-49-38)36-16-14-32-8-4-6-10-34(32)22-36;1-2-37-33-15-13-25(19-35-38(21-29-23-40-29)27-9-5-3-6-10-27)17-31(33)32-18-26(14-16-34(32)37)20-36-39(22-30-24-41-30)28-11-7-4-8-12-28;1-3-11-28(12-4-1)35(29-13-5-2-6-14-29)30-18-15-25(16-19-30)22-33-34(23-32-24-36-32)31-20-17-26-9-7-8-10-27(26)21-31;1-23-8-14-27(15-9-23)33(28-16-10-24(2)11-17-28)29-18-12-25(13-19-29)20-31-32(21-30-22-34-30)26-6-4-3-5-7-26;1-23-12-16-25(17-13-23)31(21-29-22-33-29)30-20-24-14-18-28(19-15-24)32(26-8-4-2-5-9-26)27-10-6-3-7-11-27;1-2-30-27-10-6-5-9-25(27)26-15-20(11-14-28(26)30)17-29-31(18-24-19-32-24)23-13-12-21-7-3-4-8-22(21)16-23;1-4-10-24(11-5-1)30(21-28-22-32-28)29-20-23-16-18-27(19-17-23)31(25-12-6-2-7-13-25)26-14-8-3-9-15-26;1-3-27-24-7-5-4-6-22(24)23-14-19(10-13-25(23)27)15-26-28(16-21-17-29-21)20-11-8-18(2)9-12-20;1-2-26-23-11-7-6-10-21(23)22-14-18(12-13-24(22)26)15-25-27(16-20-17-28-20)19-8-4-3-5-9-19/h3-24,37-38H,2,25-28H2,1H3;3-20,29-30H,2,21-24H2,1H3;1-22,32H,23-24H2;3-20,30H,21-22H2,1-2H3;2-20,29H,21-22H2,1H3;3-17,24H,2,18-19H2,1H3;1-20,28H,21-22H2;4-15,21H,3,16-17H2,1-2H3;3-15,20H,2,16-17H2,1H3/b43-23+,44-24+;35-19+,36-20+;33-22+;31-20+;30-20+;29-17+;29-20+;26-15+;25-15+ |
| InChIKey | KAIYVWGLIOCZAE-SDRDKIATSA-N |
| XLogP | 59.18 |
| TPSA | 347.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 72 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4130.21 |
| LogP ≤ 5 | 59.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 42 |