C325H207N25 — CID 159811321
4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(9,9-dimethylfluoren-2-yl)benzo[h]quinazoline;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-naphthalen-2-ylbenzo[h]quinazoline;2-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline (PubChem CID 159811321) has the molecular formula C325H207N25 and a molecular weight of 4462.41 g/mol. Its IUPAC name is 4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(9,9-dimethylfluoren-2-yl)benzo[h]quinazoline;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-naphthalen-2-ylbenzo[h]quinazoline;2-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline.
| Compound Name | 4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(9,9-dimethylfluoren-2-yl)benzo[h]quinazoline;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-naphthalen-2-ylbenzo[h]quinazoline;2-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline |
|---|---|
| PubChem CID | 159811321 |
| Molecular Formula | C325H207N25 |
| Molecular Weight | 4462.41 g/mol |
| Exact Mass | 4458.70 |
| IUPAC Name | 4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(9,9-dimethylfluoren-2-yl)benzo[h]quinazoline;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-naphthalen-2-ylbenzo[h]quinazoline;2-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc4)c4ccc5ccccc5c4n3)ccc21.CC1(C)c2ccccc2-c2cc(-c3nc(-c4cccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)c4)nc4c3ccc3ccccc34)ccc21.CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c4ccc5ccccc5c4n3)cc21.c1ccc(-c2ccc(-c3nc(-c4ccc(-n5c6cc(-n7c8ccccc8c8ccccc87)ccc6c6ccc(-n7c8ccccc8c8ccccc87)cc65)cc4)c4ccc5ccccc5c4n3)cc2)cc1.c1ccc2cc(-c3nc(-n4c5cc(-n6c7ccccc7c7ccccc76)ccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c4ccc5ccccc5c4n3)ccc2c1 |
| InChI | InChI=1S/2C69H45N5.C66H41N5.C63H41N5.C58H35N5/c1-69(2)58-25-10-5-20-49(58)57-39-43(31-37-59(57)69)66-56-34-30-42-16-3-4-19-48(42)67(56)71-68(70-66)44-17-15-18-45(38-44)74-64-40-46(72-60-26-11-6-21-50(60)51-22-7-12-27-61(51)72)32-35-54(64)55-36-33-47(41-65(55)74)73-62-28-13-8-23-52(62)53-24-9-14-29-63(53)73;1-69(2)58-22-10-5-17-49(58)57-39-44(30-38-59(57)69)68-70-66(56-35-29-42-15-3-4-16-48(42)67(56)71-68)43-27-31-45(32-28-43)72-64-40-46(73-60-23-11-6-18-50(60)51-19-7-12-24-61(51)73)33-36-54(64)55-37-34-47(41-65(55)72)74-62-25-13-8-20-52(62)53-21-9-14-26-63(53)74;1-2-14-42(15-3-1)43-26-28-46(29-27-43)66-67-64(57-37-32-44-16-4-5-17-50(44)65(57)68-66)45-30-33-47(34-31-45)69-62-40-48(70-58-22-10-6-18-51(58)52-19-7-11-23-59(52)70)35-38-55(62)56-39-36-49(41-63(56)69)71-60-24-12-8-20-53(60)54-21-9-13-25-61(54)71;1-63(2)52-22-10-5-17-43(52)44-31-28-39(35-53(44)63)61-64-60-42-16-4-3-15-38(42)27-32-51(60)62(65-61)68-58-36-40(66-54-23-11-6-18-45(54)46-19-7-12-24-55(46)66)29-33-49(58)50-34-30-41(37-59(50)68)67-56-25-13-8-20-47(56)48-21-9-14-26-57(48)67;1-2-15-38-33-39(26-25-36(38)13-1)57-59-56-42-16-4-3-14-37(42)27-30-49(56)58(60-57)63-54-34-40(61-50-21-9-5-17-43(50)44-18-6-10-22-51(44)61)28-31-47(54)48-32-29-41(35-55(48)63)62-52-23-11-7-19-45(52)46-20-8-12-24-53(46)62/h2*3-41H,1-2H3;1-41H;3-37H,1-2H3;1-35H |
| InChIKey | NLBFJZLHBBNKSC-UHFFFAOYSA-N |
| XLogP | 83.45 |
| TPSA | 202.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 350 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4462.41 |
| LogP ≤ 5 | 83.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |