C301H212N14 — CID 159169366
9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole;5-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2,4,6-trimethyl-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;methane (PubChem CID 159169366) has the molecular formula C301H212N14 and a molecular weight of 4025.10 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole;5-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2,4,6-trimethyl-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;methane.
| Compound Name | 9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole;5-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2,4,6-trimethyl-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;methane |
|---|---|
| PubChem CID | 159169366 |
| Molecular Formula | C301H212N14 |
| Molecular Weight | 4025.10 g/mol |
| Exact Mass | 4021.70 |
| IUPAC Name | 9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[2,4,6-trimethyl-5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2,4,6-trimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole;5-[4-[5-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-2,4,6-trimethyl-3-pyridinyl]phenyl]-1-N,1-N,3-N,3-N-tetranaphthalen-2-ylbenzene-1,3-diamine;methane |
| SMILES | C.Cc1nc(C)c(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c(C)c1-c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.Cc1nc(C)c(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)c(C)c1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.Cc1nc(C)c(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)c(C)c1-c1ccc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc1.Cc1nc(C)c(-c2ccc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)cc2)c(C)c1-c1ccc(-c2cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)c2)cc1 |
| InChI | InChI=1S/C96H67N5.C74H51N3.C68H47N3.C62H43N3.CH4/c1-62-95(63(2)97-64(3)96(62)72-42-38-70(39-43-72)78-58-85(100-91-32-16-12-28-87(91)88-29-13-17-33-92(88)100)61-86(59-78)101-93-34-18-14-30-89(93)90-31-15-19-35-94(90)101)71-40-36-69(37-41-71)77-56-83(98(79-48-44-65-20-4-8-24-73(65)52-79)80-49-45-66-21-5-9-25-74(66)53-80)60-84(57-77)99(81-50-46-67-22-6-10-26-75(67)54-81)82-51-47-68-23-7-11-27-76(68)55-82;1-46-71(47(2)75-48(3)72(46)52-39-41-53(42-40-52)73-63-26-6-8-28-65(63)74(66-29-9-7-27-64(66)73)62-30-18-20-50-19-4-5-21-57(50)62)51-37-35-49(36-38-51)54-43-55(76-67-31-14-10-22-58(67)59-23-11-15-32-68(59)76)45-56(44-54)77-69-33-16-12-24-60(69)61-25-13-17-34-70(61)77;1-42-65(46-35-37-47(38-36-46)67-57-26-6-8-28-59(57)68(60-29-9-7-27-58(60)67)56-30-18-20-45-19-4-5-21-51(45)56)43(2)69-44(3)66(42)48-39-49(70-61-31-14-10-22-52(61)53-23-11-15-32-62(53)70)41-50(40-48)71-63-33-16-12-24-54(63)55-25-13-17-34-64(55)71;1-38-59(39(2)63-40(3)60(38)62-53-28-8-6-26-51(53)61(52-27-7-9-29-54(52)62)50-30-18-20-41-19-4-5-21-45(41)50)42-35-43(64-55-31-14-10-22-46(55)47-23-11-15-32-56(47)64)37-44(36-42)65-57-33-16-12-24-48(57)49-25-13-17-34-58(49)65;/h4-61H,1-3H3;4-45H,1-3H3;4-41H,1-3H3;4-37H,1-3H3;1H4 |
| InChIKey | KLMGKWUVWBQBEK-UHFFFAOYSA-N |
| XLogP | 82.04 |
| TPSA | 97.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 315 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4025.10 |
| LogP ≤ 5 | 82.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |