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

C294H200O16 — CID 158750184

IUPAC4-[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
SMILESC#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
InChIInChI=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
InChIKeyINJKXRVDKILHQD-UHFFFAOYSA-N
MW3988.82 g/mol
LogP68.82
Rot. Bonds44

About 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

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.

Molecular Properties

Compound Name4-[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 CID158750184
Molecular FormulaC294H200O16
Molecular Weight3988.82 g/mol
Exact Mass3985.48
IUPAC Name4-[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
SMILESC#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
InChIInChI=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
InChIKeyINJKXRVDKILHQD-UHFFFAOYSA-N
XLogP68.82
TPSA191.68 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds44
Heavy Atoms310
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003988.82
LogP ≤ 568.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 158750184) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is INJKXRVDKILHQD-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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?
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 has a molecular weight of 3988.82 g/mol, XLogP of 68.82, 44 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158750184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).