C372H250N18OS2 — CID 161285932
N-[4-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[7-(9,9-dimethylfluoren-3-yl)benzo[g]carbazol-9-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 161285932) has the molecular formula C372H250N18OS2 and a molecular weight of 5052.35 g/mol. Its IUPAC name is N-[4-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[7-(9,9-dimethylfluoren-3-yl)benzo[g]carbazol-9-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine.
| Compound Name | N-[4-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[7-(9,9-dimethylfluoren-3-yl)benzo[g]carbazol-9-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine |
|---|---|
| PubChem CID | 161285932 |
| Molecular Formula | C372H250N18OS2 |
| Molecular Weight | 5052.35 g/mol |
| Exact Mass | 5047.95 |
| IUPAC Name | N-[4-(9-dibenzofuran-3-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine;N-[4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-3-yl)phenyl]-N-(4-phenylphenyl)pyridin-3-amine;N-[4-[7-(9,9-dimethylfluoren-3-yl)benzo[g]carbazol-9-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-3-amine;N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine |
| SMILES | CC1(C)c2ccccc2-c2cc(-n3c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5)ccc4c4c5ccccc5ccc43)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6cc7ccccc7cc6n(-c6ccc7sc8ccccc8c7c6)c5c4)cc3)c3cccnc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c(c6)oc6ccccc67)c5c4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c5c4)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C73H47N3.C70H47N5.C67H47N3.C57H42N2.C54H34N2OS.C51H33N3S/c1-3-18-48(19-4-1)49-34-39-53(40-35-49)74(69-33-17-30-66-72(69)62-26-9-14-29-65(62)73(66)63-27-12-7-22-56(63)57-23-8-13-28-64(57)73)54-41-36-50(37-42-54)51-38-44-60-58-24-11-16-32-68(58)76(70(60)46-51)55-43-45-61-59-25-10-15-31-67(59)75(71(61)47-55)52-20-5-2-6-21-52;1-6-20-48(21-7-1)49-34-39-56(40-35-49)74(58-43-45-64-62(47-58)59-30-16-18-32-63(59)70(64,54-26-12-4-13-27-54)55-28-14-5-15-29-55)57-41-36-50(37-42-57)53-38-44-61-60-31-17-19-33-65(60)75(66(61)46-53)69-72-67(51-22-8-2-9-23-51)71-68(73-69)52-24-10-3-11-25-52;1-67(2)60-23-13-11-21-55(60)58-42-53(35-38-61(58)67)70-64-39-30-47-17-9-10-20-54(47)66(64)57-37-29-48(41-65(57)70)46-27-33-51(34-28-46)68(50-31-25-45(26-32-50)44-15-5-3-6-16-44)52-36-40-63-59(43-52)56-22-12-14-24-62(56)69(63)49-18-7-4-8-19-49;1-57(2)53-22-11-9-20-49(53)50-35-33-48(38-54(50)57)58(45-29-24-41(25-30-45)39-14-5-3-6-15-39)46-31-26-42(27-32-46)44-28-34-52-51-21-10-12-23-55(51)59(56(52)37-44)47-19-13-18-43(36-47)40-16-7-4-8-17-40;1-2-10-35(11-3-1)36-18-23-39(24-19-36)55(42-28-31-48-47-14-6-9-17-53(47)58-54(48)34-42)40-25-20-37(21-26-40)38-22-29-44-43-12-4-7-15-49(43)56(50(44)32-38)41-27-30-46-45-13-5-8-16-51(45)57-52(46)33-41;1-2-9-34(10-3-1)35-16-21-40(22-17-35)53(43-13-8-28-52-33-43)41-23-18-36(19-24-41)39-20-26-44-46-29-37-11-4-5-12-38(37)30-49(46)54(48(44)31-39)42-25-27-51-47(32-42)45-14-6-7-15-50(45)55-51/h1-47H;1-47H;3-43H,1-2H3;3-38H,1-2H3;1-34H;1-33H |
| InChIKey | VFSHUEXVDFMTPC-UHFFFAOYSA-N |
| XLogP | 100.56 |
| TPSA | 123.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 393 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5052.35 |
| LogP ≤ 5 | 100.56 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |