C364H300N18 — CID 162154757
9,10-ditert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-ditert-butyl-2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)anthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine (PubChem CID 162154757) has the molecular formula C364H300N18 and a molecular weight of 4926.53 g/mol. Its IUPAC name is 9,10-ditert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-ditert-butyl-2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)anthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine.
| Compound Name | 9,10-ditert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-ditert-butyl-2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)anthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine |
|---|---|
| PubChem CID | 162154757 |
| Molecular Formula | C364H300N18 |
| Molecular Weight | 4926.53 g/mol |
| Exact Mass | 4922.40 |
| IUPAC Name | 9,10-ditert-butyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-ditert-butyl-2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)anthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-ditert-butyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dimethyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine |
| SMILES | CC(C)(C)c1c2ccc(N(c3cc4ccccc4cn3)c3cc4ccccc4cn3)cc2c(C(C)(C)C)c2cc(N(c3cc4ccccc4cn3)c3nccc4ccccc34)ccc12.CC(C)(C)c1c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2c(C(C)(C)C)c2cc(N(c3cccc4ccccc34)c3cccc4ccccc34)ccc12.CC(C)(C)c1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c(C(C)(C)C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc12.CC(C)(C)c1c2ccc(N(c3ccccc3)c3ccccc3)cc2c(C(C)(C)C)c2cc(N(c3ccccc3)c3ccccc3)ccc12.Cc1c2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)cc2c(C)c2cc(N(c3cccc4ccccc34)c3cccc4ccccc34)ccc12.Cc1c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc2c(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc12.Cc1c2ccc(N(c3ccccc3)c3ccccc3)cc2c(C)c2cc(N(c3ccccc3)c3ccccc3)ccc12 |
| InChI | InChI=1S/C62H52N2.C58H48N6.C56H40N2.C54H48N2.C48H36N2.C46H44N2.C40H32N2/c1-61(2,3)59-51-37-35-45(63(55-31-15-23-41-19-7-11-27-47(41)55)56-32-16-24-42-20-8-12-28-48(42)56)39-53(51)60(62(4,5)6)54-40-46(36-38-52(54)59)64(57-33-17-25-43-21-9-13-29-49(43)57)58-34-18-26-44-22-10-14-30-50(44)58;1-57(2,3)54-47-25-23-44(63(51-29-38-16-7-10-19-41(38)34-60-51)52-30-39-17-8-11-20-42(39)35-61-52)32-49(47)55(58(4,5)6)50-33-45(24-26-48(50)54)64(53-31-40-18-9-12-21-43(40)36-62-53)56-46-22-14-13-15-37(46)27-28-59-56;1-37-45-33-31-43(57(53-27-11-19-39-15-3-7-23-47(39)53)54-28-12-20-40-16-4-8-24-48(40)54)35-51(45)38(2)52-36-44(32-34-46(37)52)58(55-29-13-21-41-17-5-9-25-49(41)55)56-30-14-22-42-18-6-10-26-50(42)56;1-53(2,3)51-45-33-31-41(55(39-23-9-7-10-24-39)49-29-17-21-37-19-13-15-27-43(37)49)35-47(45)52(54(4,5)6)48-36-42(32-34-46(48)51)56(40-25-11-8-12-26-40)50-30-18-22-38-20-14-16-28-44(38)50;1-33-41-29-27-39(49(37-19-5-3-6-20-37)47-25-13-17-35-15-9-11-23-43(35)47)31-45(41)34(2)46-32-40(28-30-42(33)46)50(38-21-7-4-8-22-38)48-26-14-18-36-16-10-12-24-44(36)48;1-45(2,3)43-39-29-27-37(47(33-19-11-7-12-20-33)34-21-13-8-14-22-34)31-41(39)44(46(4,5)6)42-32-38(28-30-40(42)43)48(35-23-15-9-16-24-35)36-25-17-10-18-26-36;1-29-37-25-23-35(41(31-15-7-3-8-16-31)32-17-9-4-10-18-32)27-39(37)30(2)40-28-36(24-26-38(29)40)42(33-19-11-5-12-20-33)34-21-13-6-14-22-34/h7-40H,1-6H3;7-36H,1-6H3;3-36H,1-2H3;7-36H,1-6H3;3-32H,1-2H3;7-32H,1-6H3;3-28H,1-2H3 |
| InChIKey | ZLRHBMSWOWYZPQ-UHFFFAOYSA-N |
| XLogP | 104.79 |
| TPSA | 96.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 382 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4926.53 |
| LogP ≤ 5 | 104.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |