C294H200O16 — CID 158750184
4-[9-[4-[6,12-bis(4-hydroxyphenyl)-12-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]fluoren-9-yl]phenol;6,6,12,12-tetrakis(6-ethenoxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-1-en-2-yloxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-2-ynoxynaphthalen-2-yl)indeno[1,2-b]fluorene (PubChem CID 158750184) has the molecular formula C294H200O16 and a molecular weight of 3988.82 g/mol. Its IUPAC name is 4-[9-[4-[6,12-bis(4-hydroxyphenyl)-12-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]fluoren-9-yl]phenol;6,6,12,12-tetrakis(6-ethenoxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-1-en-2-yloxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-2-ynoxynaphthalen-2-yl)indeno[1,2-b]fluorene.
| Compound Name | 4-[9-[4-[6,12-bis(4-hydroxyphenyl)-12-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]fluoren-9-yl]phenol;6,6,12,12-tetrakis(6-ethenoxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-1-en-2-yloxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-2-ynoxynaphthalen-2-yl)indeno[1,2-b]fluorene |
|---|---|
| PubChem CID | 158750184 |
| Molecular Formula | C294H200O16 |
| Molecular Weight | 3988.82 g/mol |
| Exact Mass | 3985.48 |
| IUPAC Name | 4-[9-[4-[6,12-bis(4-hydroxyphenyl)-12-[4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenyl]indeno[1,2-b]fluoren-6-yl]phenyl]fluoren-9-yl]phenol;6,6,12,12-tetrakis(6-ethenoxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-1-en-2-yloxynaphthalen-2-yl)indeno[1,2-b]fluorene;6,6,12,12-tetrakis(6-prop-2-ynoxynaphthalen-2-yl)indeno[1,2-b]fluorene |
| SMILES | C#CCOc1ccc2cc(C3(c4ccc5cc(OCC#C)ccc5c4)c4ccccc4-c4cc5c(cc43)-c3ccccc3C5(c3ccc4cc(OCC#C)ccc4c3)c3ccc4cc(OCC#C)ccc4c3)ccc2c1.C=C(C)Oc1ccc2cc(C3(c4ccc5cc(OC(=C)C)ccc5c4)c4ccccc4-c4cc5c(cc43)-c3ccccc3C5(c3ccc4cc(OC(=C)C)ccc4c3)c3ccc4cc(OC(=C)C)ccc4c3)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4cc5c(cc43)-c3ccccc3C5(c3ccc4cc(OC=C)ccc4c3)c3ccc4cc(OC=C)ccc4c3)ccc2c1.Oc1ccc(C2(c3ccc(C4(c5ccc(O)cc5)c5ccccc5-c5cc6c(cc54)-c4ccccc4C6(c4ccc(O)cc4)c4ccc(C5(c6ccc(O)cc6)c6ccccc6-c6ccccc65)cc4)cc3)c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/C82H54O4.C72H54O4.C72H46O4.C68H46O4/c83-59-41-33-55(34-42-59)79(71-19-7-1-13-63(71)64-14-2-8-20-72(64)79)51-25-29-53(30-26-51)81(57-37-45-61(85)46-38-57)75-23-11-5-17-67(75)69-50-78-70(49-77(69)81)68-18-6-12-24-76(68)82(78,58-39-47-62(86)48-40-58)54-31-27-52(28-32-54)80(56-35-43-60(84)44-36-56)73-21-9-3-15-65(73)66-16-4-10-22-74(66)80;1-43(2)73-59-29-21-47-33-55(25-17-51(47)37-59)71(56-26-18-52-38-60(74-44(3)4)30-22-48(52)34-56)67-15-11-9-13-63(67)65-42-70-66(41-69(65)71)64-14-10-12-16-68(64)72(70,57-27-19-53-39-61(75-45(5)6)31-23-49(53)35-57)58-28-20-54-40-62(76-46(7)8)32-24-50(54)36-58;1-5-33-73-59-29-21-47-37-55(25-17-51(47)41-59)71(56-26-18-52-42-60(74-34-6-2)30-22-48(52)38-56)67-15-11-9-13-63(67)65-46-70-66(45-69(65)71)64-14-10-12-16-68(64)72(70,57-27-19-53-43-61(75-35-7-3)31-23-49(53)39-57)58-28-20-54-44-62(76-36-8-4)32-24-50(54)40-58;1-5-69-55-29-21-43-33-51(25-17-47(43)37-55)67(52-26-18-48-38-56(70-6-2)30-22-44(48)34-52)63-15-11-9-13-59(63)61-42-66-62(41-65(61)67)60-14-10-12-16-64(60)68(66,53-27-19-49-39-57(71-7-3)31-23-45(49)35-53)54-28-20-50-40-58(72-8-4)32-24-46(50)36-54/h1-50,83-86H;9-42H,1,3,5,7H2,2,4,6,8H3;1-4,9-32,37-46H,33-36H2;5-42H,1-4H2 |
| InChIKey | INJKXRVDKILHQD-UHFFFAOYSA-N |
| XLogP | 68.82 |
| TPSA | 191.68 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 310 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3988.82 |
| LogP ≤ 5 | 68.82 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 16 |