C390H332N12 — CID 162028045
9,10-dicyclohexyl-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(4-tert-butylphenyl)-9,10-dicyclohexylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine (PubChem CID 162028045) has the molecular formula C390H332N12 and a molecular weight of 5187.03 g/mol. Its IUPAC name is 9,10-dicyclohexyl-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(4-tert-butylphenyl)-9,10-dicyclohexylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine.
| Compound Name | 9,10-dicyclohexyl-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(4-tert-butylphenyl)-9,10-dicyclohexylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine |
|---|---|
| PubChem CID | 162028045 |
| Molecular Formula | C390H332N12 |
| Molecular Weight | 5187.03 g/mol |
| Exact Mass | 5182.63 |
| IUPAC Name | 9,10-dicyclohexyl-2-N,6-N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-N,6-N-diphenylanthracene-2,6-diamine;9,10-dicyclohexyl-2-N,6-N-diphenyl-2-N,6-N-bis(4-phenylphenyl)anthracene-2,6-diamine;2-N,2-N,6-N,6-N,9,10-hexakis-phenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetrakis(4-tert-butylphenyl)-9,10-dicyclohexylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine;2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-9,10-diphenylanthracene-2,6-diamine |
| SMILES | CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(C4CCCCC4)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4c(C4CCCCC4)c3c2)cc1.CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(C6CCCCC6)c6cc(N(c7ccccc7)c7ccc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7)ccc6c(C6CCCCC6)c5c4)cc3)cc21.c1ccc(-c2c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3c(-c3ccccc3)c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc23)cc1.c1ccc(-c2c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc3c(-c3ccccc3)c3ccc(N(c4cccc5ccccc45)c4cccc5ccccc45)cc23)cc1.c1ccc(-c2c3ccc(N(c4ccccc4)c4ccccc4)cc3c(-c3ccccc3)c3ccc(N(c4ccccc4)c4ccccc4)cc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(C5CCCCC5)c5cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc5c(C5CCCCC5)c4c3)cc2)cc1 |
| InChI | InChI=1S/C80H72N2.2C66H44N2.C66H80N2.C62H56N2.C50H36N2/c1-79(2)73-31-19-17-29-65(73)67-45-37-57(49-75(67)79)53-33-39-61(40-34-53)81(59-25-13-7-14-26-59)63-43-47-69-71(51-63)77(55-21-9-5-10-22-55)70-48-44-64(52-72(70)78(69)56-23-11-6-12-24-56)82(60-27-15-8-16-28-60)62-41-35-54(36-42-62)58-38-46-68-66-30-18-20-32-74(66)80(3,4)76(68)50-58;1-3-23-49(24-4-1)65-57-41-39-52(68(63-37-17-29-47-21-9-13-33-55(47)63)64-38-18-30-48-22-10-14-34-56(48)64)44-60(57)66(50-25-5-2-6-26-50)58-42-40-51(43-59(58)65)67(61-35-15-27-45-19-7-11-31-53(45)61)62-36-16-28-46-20-8-12-32-54(46)62;1-3-19-49(20-4-1)65-61-37-35-60(68(57-33-29-47-17-9-13-25-53(47)41-57)58-34-30-48-18-10-14-26-54(48)42-58)44-64(61)66(50-21-5-2-6-22-50)62-38-36-59(43-63(62)65)67(55-31-27-45-15-7-11-23-51(45)39-55)56-32-28-46-16-8-12-24-52(46)40-56;1-63(2,3)47-23-31-51(32-24-47)67(52-33-25-48(26-34-52)64(4,5)6)55-39-41-57-59(43-55)61(45-19-15-13-16-20-45)58-42-40-56(44-60(58)62(57)46-21-17-14-18-22-46)68(53-35-27-49(28-36-53)65(7,8)9)54-37-29-50(30-38-54)66(10,11)12;1-7-19-45(20-8-1)47-31-35-53(36-32-47)63(51-27-15-5-16-28-51)55-39-41-57-59(43-55)61(49-23-11-3-12-24-49)58-42-40-56(44-60(58)62(57)50-25-13-4-14-26-50)64(52-29-17-6-18-30-52)54-37-33-48(34-38-54)46-21-9-2-10-22-46;1-7-19-37(20-8-1)49-45-33-31-44(52(41-27-15-5-16-28-41)42-29-17-6-18-30-42)36-48(45)50(38-21-9-2-10-22-38)46-34-32-43(35-47(46)49)51(39-23-11-3-12-24-39)40-25-13-4-14-26-40/h7-8,13-20,25-52,55-56H,5-6,9-12,21-24H2,1-4H3;2*1-44H;23-46H,13-22H2,1-12H3;1-2,5-10,15-22,27-44,49-50H,3-4,11-14,23-26H2;1-36H |
| InChIKey | YVQKNNZVKJKWQS-UHFFFAOYSA-N |
| XLogP | 113.58 |
| TPSA | 38.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 402 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5187.03 |
| LogP ≤ 5 | 113.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |