C249H186N10 — CID 159741018
9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine (PubChem CID 159741018) has the molecular formula C249H186N10 and a molecular weight of 3318.30 g/mol. Its IUPAC name is 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine.
| Compound Name | 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine |
|---|---|
| PubChem CID | 159741018 |
| Molecular Formula | C249H186N10 |
| Molecular Weight | 3318.30 g/mol |
| Exact Mass | 3315.49 |
| IUPAC Name | 9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-(2-phenylethenyl)phenyl]fluorene-2,7-diamine;N-naphthalen-2-yl-6-[4-(N-naphthalen-2-ylanilino)phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-4-(2-phenylethenyl)-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]aniline;9-N,9-N,10-N-triphenyl-10-N-[4-(2-phenylethenyl)phenyl]anthracene-9,10-diamine;1-N,6-N,6-N-triphenyl-1-N-[4-(2-phenylethenyl)phenyl]pyrene-1,6-diamine |
| SMILES | C(=Cc1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C=Cc5ccccc5)cc4)cc3)cc2)cc1)c1ccccc1.C(=Cc1ccc(N(c2ccccc2)c2ccc3ccc4c(N(c5ccccc5)c5ccccc5)ccc5ccc2c3c54)cc1)c1ccccc1.CC1(C)c2cc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccc(C=Cc4ccccc4)cc3)cc21.c1ccc(N(c2ccc(-c3ccc4cc(N(c5ccccc5)c5ccc6ccccc6c5)ccc4c3)cc2)c2ccc3ccccc3c2)cc1 |
| InChI | InChI=1S/C55H44N2.C52H40N2.2C48H34N2.C46H34N2/c1-55(2)53-39-49(56(45-19-11-5-12-20-45)47-31-27-43(28-32-47)25-23-41-15-7-3-8-16-41)35-37-51(53)52-38-36-50(40-54(52)55)57(46-21-13-6-14-22-46)48-33-29-44(30-34-48)26-24-42-17-9-4-10-18-42;1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)53(47-17-9-3-10-18-47)51-37-29-45(30-38-51)46-31-39-52(40-32-46)54(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42;1-5-13-35(14-6-1)21-22-36-23-29-42(30-24-36)50(41-19-11-4-12-20-41)46-34-28-38-25-31-43-45(33-27-37-26-32-44(46)48(38)47(37)43)49(39-15-7-2-8-16-39)40-17-9-3-10-18-40;1-3-15-43(16-4-1)49(46-28-23-35-11-7-9-13-38(35)32-46)45-26-21-37(22-27-45)40-19-20-42-34-48(30-25-41(42)31-40)50(44-17-5-2-6-18-44)47-29-24-36-12-8-10-14-39(36)33-47;1-5-17-35(18-6-1)29-30-36-31-33-40(34-32-36)48(39-23-11-4-12-24-39)46-43-27-15-13-25-41(43)45(42-26-14-16-28-44(42)46)47(37-19-7-2-8-20-37)38-21-9-3-10-22-38/h3-40H,1-2H3;1-40H;2*1-34H;1-34H |
| InChIKey | NCLMJRKOOOQFAF-UHFFFAOYSA-N |
| XLogP | 70.46 |
| TPSA | 32.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 259 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3318.30 |
| LogP ≤ 5 | 70.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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