C292H248N14 — CID 159541096
9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine (PubChem CID 159541096) has the molecular formula C292H248N14 and a molecular weight of 3953.29 g/mol. Its IUPAC name is 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine.
| Compound Name | 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine |
|---|---|
| PubChem CID | 159541096 |
| Molecular Formula | C292H248N14 |
| Molecular Weight | 3953.29 g/mol |
| Exact Mass | 3949.98 |
| IUPAC Name | 9,10-dicyclohexyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-1-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetranaphthalen-2-ylanthracene-2,7-diamine;9,10-dicyclohexyl-2-N,2-N,7-N,7-N-tetraphenylanthracene-2,7-diamine;2-N-isoquinolin-1-yl-2-N,7-N,7-N-tri(isoquinolin-3-yl)-9,10-dimethylanthracene-2,7-diamine |
| SMILES | Cc1c2ccc(N(c3cc4ccccc4cn3)c3cc4ccccc4cn3)cc2c(C)c2cc(N(c3cc4ccccc4cn3)c3nccc4ccccc34)ccc12.c1ccc(N(c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc4c(C4CCCCC4)c3c2)c2cccc3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(C4CCCCC4)c4ccc(N(c5ccccc5)c5ccccc5)cc4c(C4CCCCC4)c3c2)cc1.c1ccc2c(N(c3ccc4c(C5CCCCC5)c5ccc(N(c6cccc7ccccc67)c6cccc7ccccc67)cc5c(C5CCCCC5)c4c3)c3cccc4ccccc34)cccc2c1.c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4c(C5CCCCC5)c5ccc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc5c(C5CCCCC5)c4c3)ccc2c1 |
| InChI | InChI=1S/2C66H56N2.C58H52N2.C52H36N6.C50H48N2/c1-3-23-49(24-4-1)65-57-41-39-51(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)43-59(57)66(50-25-5-2-6-26-50)60-44-52(40-42-58(60)65)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;1-3-19-49(20-4-1)65-61-37-35-59(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)43-63(61)66(50-21-5-2-6-22-50)64-44-60(36-38-62(64)65)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;1-5-21-43(22-6-1)57-51-37-35-47(59(45-27-9-3-10-28-45)55-33-17-25-41-19-13-15-31-49(41)55)39-53(51)58(44-23-7-2-8-24-44)54-40-48(36-38-52(54)57)60(46-29-11-4-12-30-46)56-34-18-26-42-20-14-16-32-50(42)56;1-33-44-21-19-42(57(49-25-36-12-3-6-15-39(36)30-54-49)50-26-37-13-4-7-16-40(37)31-55-50)28-47(44)34(2)48-29-43(20-22-45(33)48)58(51-27-38-14-5-8-17-41(38)32-56-51)52-46-18-10-9-11-35(46)23-24-53-52;1-7-19-37(20-8-1)49-45-33-31-43(51(39-23-11-3-12-24-39)40-25-13-4-14-26-40)35-47(45)50(38-21-9-2-10-22-38)48-36-44(32-34-46(48)49)52(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h7-22,27-44,49-50H,1-6,23-26H2;7-18,23-44,49-50H,1-6,19-22H2;3-4,9-20,25-40,43-44H,1-2,5-8,21-24H2;3-32H,1-2H3;3-6,11-18,23-38H,1-2,7-10,19-22H2 |
| InChIKey | MEFJNRZDPGOWRV-UHFFFAOYSA-N |
| XLogP | 85.39 |
| TPSA | 83.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 306 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3953.29 |
| LogP ≤ 5 | 85.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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