11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene

C238H164O12 — CID 157208087

IUPAC11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene
SMILESC=COc1ccc(C2(c3ccc(OC=C)cc3)c3ccccc3-c3ccccc32)cc1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4cc5ccccc5cc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/2C45H30O2.2C41H28O2.C37H26O2.C29H22O2/c1-3-46-37-21-15-31-25-35(19-13-33(31)27-37)45(36-20-14-34-28-38(47-4-2)22-16-32(34)26-36)41-23-17-29-9-5-7-11-39(29)43(41)44-40-12-8-6-10-30(40)18-24-42(44)45;1-3-46-39-19-15-33-21-37(17-13-35(33)23-39)45(38-18-14-36-24-40(47-4-2)20-16-34(36)22-38)43-27-31-11-7-5-9-29(31)25-41(43)42-26-30-10-6-8-12-32(30)28-44(42)45;1-3-42-34-20-15-28-23-32(18-13-30(28)25-34)41(33-19-14-31-26-35(43-4-2)21-16-29(31)24-33)38-12-8-7-11-37(38)40-36-10-6-5-9-27(36)17-22-39(40)41;1-3-42-35-19-15-29-21-33(17-13-31(29)23-35)41(34-18-14-32-24-36(43-4-2)20-16-30(32)22-34)39-12-8-7-11-37(39)38-25-27-9-5-6-10-28(27)26-40(38)41;1-3-38-31-19-15-25-21-29(17-13-27(25)23-31)37(30-18-14-28-24-32(39-4-2)20-16-26(28)22-30)35-11-7-5-9-33(35)34-10-6-8-12-36(34)37;1-3-30-23-17-13-21(14-18-23)29(22-15-19-24(20-16-22)31-4-2)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29/h2*3-28H,1-2H2;2*3-26H,1-2H2;3-24H,1-2H2;3-20H,1-2H2
InChIKeyAROQEVBBXQDHHL-UHFFFAOYSA-N
MW3215.92 g/mol
LogP61.02
Rot. Bonds36

About 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene

11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene (PubChem CID 157208087) has the molecular formula C238H164O12 and a molecular weight of 3215.92 g/mol. Its IUPAC name is 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene.

Molecular Properties

Compound Name11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene
PubChem CID157208087
Molecular FormulaC238H164O12
Molecular Weight3215.92 g/mol
Exact Mass3213.22
IUPAC Name11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene
SMILESC=COc1ccc(C2(c3ccc(OC=C)cc3)c3ccccc3-c3ccccc32)cc1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4cc5ccccc5cc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/2C45H30O2.2C41H28O2.C37H26O2.C29H22O2/c1-3-46-37-21-15-31-25-35(19-13-33(31)27-37)45(36-20-14-34-28-38(47-4-2)22-16-32(34)26-36)41-23-17-29-9-5-7-11-39(29)43(41)44-40-12-8-6-10-30(40)18-24-42(44)45;1-3-46-39-19-15-33-21-37(17-13-35(33)23-39)45(38-18-14-36-24-40(47-4-2)20-16-34(36)22-38)43-27-31-11-7-5-9-29(31)25-41(43)42-26-30-10-6-8-12-32(30)28-44(42)45;1-3-42-34-20-15-28-23-32(18-13-30(28)25-34)41(33-19-14-31-26-35(43-4-2)21-16-29(31)24-33)38-12-8-7-11-37(38)40-36-10-6-5-9-27(36)17-22-39(40)41;1-3-42-35-19-15-29-21-33(17-13-31(29)23-35)41(34-18-14-32-24-36(43-4-2)20-16-30(32)22-34)39-12-8-7-11-37(39)38-25-27-9-5-6-10-28(27)26-40(38)41;1-3-38-31-19-15-25-21-29(17-13-27(25)23-31)37(30-18-14-28-24-32(39-4-2)20-16-26(28)22-30)35-11-7-5-9-33(35)34-10-6-8-12-36(34)37;1-3-30-23-17-13-21(14-18-23)29(22-15-19-24(20-16-22)31-4-2)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29/h2*3-28H,1-2H2;2*3-26H,1-2H2;3-24H,1-2H2;3-20H,1-2H2
InChIKeyAROQEVBBXQDHHL-UHFFFAOYSA-N
XLogP61.02
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003215.92
LogP ≤ 561.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene?
The IUPAC name of 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene (CID 157208087) is 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene.
What is the SMILES notation for 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene?
The canonical SMILES for 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene is C=COc1ccc(C2(c3ccc(OC=C)cc3)c3ccccc3-c3ccccc32)cc1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4cc5ccccc5cc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccc5ccccc5c4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4c3ccc3ccccc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4cc5ccccc5cc43)ccc2c1.C=COc1ccc2cc(C3(c4ccc5cc(OC=C)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene?
The InChIKey is AROQEVBBXQDHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H30O2.2C41H28O2.C37H26O2.C29H22O2/c1-3-46-37-21-15-31-25-35(19-13-33(31)27-37)45(36-20-14-34-28-38(47-4-2)22-16-32(34)26-36)41-23-17-29-9-5-7-11-39(29)43(41)44-40-12-8-6-10-30(40)18-24-42(44)45;1-3-46-39-19-15-33-21-37(17-13-35(33)23-39)45(38-18-14-36-24-40(47-4-2)20-16-34(36)22-38)43-27-31-11-7-5-9-29(31)25-41(43)42-26-30-10-6-8-12-32(30)28-44(42)45;1-3-42-34-20-15-28-23-32(18-13-30(28)25-34)41(33-19-14-31-26-35(43-4-2)21-16-29(31)24-33)38-12-8-7-11-37(38)40-36-10-6-5-9-27(36)17-22-39(40)41;1-3-42-35-19-15-29-21-33(17-13-31(29)23-35)41(34-18-14-32-24-36(43-4-2)20-16-30(32)22-34)39-12-8-7-11-37(39)38-25-27-9-5-6-10-28(27)26-40(38)41;1-3-38-31-19-15-25-21-29(17-13-27(25)23-31)37(30-18-14-28-24-32(39-4-2)20-16-26(28)22-30)35-11-7-5-9-33(35)34-10-6-8-12-36(34)37;1-3-30-23-17-13-21(14-18-23)29(22-15-19-24(20-16-22)31-4-2)27-11-7-5-9-25(27)26-10-6-8-12-28(26)29/h2*3-28H,1-2H2;2*3-26H,1-2H2;3-24H,1-2H2;3-20H,1-2H2.
What are the key properties of 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene?
11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene has a molecular weight of 3215.92 g/mol, XLogP of 61.02, 36 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-bis(6-ethenoxynaphthalen-2-yl)benzo[b]fluorene;7,7-bis(6-ethenoxynaphthalen-2-yl)benzo[c]fluorene;9,9-bis(6-ethenoxynaphthalen-2-yl)fluorene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;12,12-bis(6-ethenoxynaphthalen-2-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;9,9-bis(4-ethenoxyphenyl)fluorene is sourced from PubChem (CID 157208087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).