2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

C198H228OS11 — CID 160815399

IUPAC2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCC1(CCCCC)Oc2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(C)s4)s3)ccc2-c2c1cc(C)c1ccccc21.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)s3)cc21.CCCCCCc1cc(-c2sc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)cc2CCCCCC)sc1C
InChIInChI=1S/C47H50S2.C43H52S3.C39H44S2.C35H42S2.C34H40OS2/c1-5-7-9-13-19-35-31-45(48-34(35)4)46-37(20-14-10-8-6-2)32-44(49-46)36-26-28-41-40-27-25-33(3)29-42(40)47(43(41)30-36,38-21-15-11-16-22-38)39-23-17-12-18-24-39;1-5-7-9-11-13-15-27-43(28-16-14-12-10-8-6-2)36-29-31(3)17-20-34(36)35-21-19-33(30-37(35)43)38-23-24-41(45-38)42-26-25-40(46-42)39-22-18-32(4)44-39;1-5-7-9-13-23-39(24-14-10-8-6-2)33-26-29(35-21-22-37(41-35)36-20-17-28(4)40-36)18-19-32(33)38-31-16-12-11-15-30(31)27(3)25-34(38)39;1-5-7-9-11-21-35(22-12-10-8-6-2)30-23-25(3)13-16-28(30)29-17-15-27(24-31(29)35)32-19-20-34(37-32)33-18-14-26(4)36-33;1-5-7-9-11-21-34(20-10-8-6-2)29-23-26(31-18-19-33(37-31)32-17-13-25(4)36-32)14-16-27(29)28-15-12-24(3)22-30(28)35-34/h11-12,15-18,21-32H,5-10,13-14,19-20H2,1-4H3;17-26,29-30H,5-16,27-28H2,1-4H3;11-12,15-22,25-26H,5-10,13-14,23-24H2,1-4H3;13-20,23-24H,5-12,21-22H2,1-4H3;12-19,22-23H,5-11,20-21H2,1-4H3
InChIKeySEVJMWOXENKLPR-UHFFFAOYSA-N
MW2976.74 g/mol
LogP66.28
Rot. Bonds66

About 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 160815399) has the molecular formula C198H228OS11 and a molecular weight of 2976.74 g/mol. Its IUPAC name is 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID160815399
Molecular FormulaC198H228OS11
Molecular Weight2976.74 g/mol
Exact Mass2973.47
IUPAC Name2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCCCCCC1(CCCCC)Oc2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(C)s4)s3)ccc2-c2c1cc(C)c1ccccc21.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)s3)cc21.CCCCCCc1cc(-c2sc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)cc2CCCCCC)sc1C
InChIInChI=1S/C47H50S2.C43H52S3.C39H44S2.C35H42S2.C34H40OS2/c1-5-7-9-13-19-35-31-45(48-34(35)4)46-37(20-14-10-8-6-2)32-44(49-46)36-26-28-41-40-27-25-33(3)29-42(40)47(43(41)30-36,38-21-15-11-16-22-38)39-23-17-12-18-24-39;1-5-7-9-11-13-15-27-43(28-16-14-12-10-8-6-2)36-29-31(3)17-20-34(36)35-21-19-33(30-37(35)43)38-23-24-41(45-38)42-26-25-40(46-42)39-22-18-32(4)44-39;1-5-7-9-13-23-39(24-14-10-8-6-2)33-26-29(35-21-22-37(41-35)36-20-17-28(4)40-36)18-19-32(33)38-31-16-12-11-15-30(31)27(3)25-34(38)39;1-5-7-9-11-21-35(22-12-10-8-6-2)30-23-25(3)13-16-28(30)29-17-15-27(24-31(29)35)32-19-20-34(37-32)33-18-14-26(4)36-33;1-5-7-9-11-21-34(20-10-8-6-2)29-23-26(31-18-19-33(37-31)32-17-13-25(4)36-32)14-16-27(29)28-15-12-24(3)22-30(28)35-34/h11-12,15-18,21-32H,5-10,13-14,19-20H2,1-4H3;17-26,29-30H,5-16,27-28H2,1-4H3;11-12,15-22,25-26H,5-10,13-14,23-24H2,1-4H3;13-20,23-24H,5-12,21-22H2,1-4H3;12-19,22-23H,5-11,20-21H2,1-4H3
InChIKeySEVJMWOXENKLPR-UHFFFAOYSA-N
XLogP66.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds66
Heavy Atoms210
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002976.74
LogP ≤ 566.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (CID 160815399) is 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCC1(CCCCC)Oc2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCC1(CCCCCC)c2cc(-c3ccc(-c4ccc(C)s4)s3)ccc2-c2c1cc(C)c1ccccc21.CCCCCCC1(CCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(C)s4)s3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(C)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)s5)s4)s3)cc21.CCCCCCc1cc(-c2sc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(C)ccc3-4)cc2CCCCCC)sc1C.
What is the InChIKey of 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is SEVJMWOXENKLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H50S2.C43H52S3.C39H44S2.C35H42S2.C34H40OS2/c1-5-7-9-13-19-35-31-45(48-34(35)4)46-37(20-14-10-8-6-2)32-44(49-46)36-26-28-41-40-27-25-33(3)29-42(40)47(43(41)30-36,38-21-15-11-16-22-38)39-23-17-12-18-24-39;1-5-7-9-11-13-15-27-43(28-16-14-12-10-8-6-2)36-29-31(3)17-20-34(36)35-21-19-33(30-37(35)43)38-23-24-41(45-38)42-26-25-40(46-42)39-22-18-32(4)44-39;1-5-7-9-13-23-39(24-14-10-8-6-2)33-26-29(35-21-22-37(41-35)36-20-17-28(4)40-36)18-19-32(33)38-31-16-12-11-15-30(31)27(3)25-34(38)39;1-5-7-9-11-21-35(22-12-10-8-6-2)30-23-25(3)13-16-28(30)29-17-15-27(24-31(29)35)32-19-20-34(37-32)33-18-14-26(4)36-33;1-5-7-9-11-21-34(20-10-8-6-2)29-23-26(31-18-19-33(37-31)32-17-13-25(4)36-32)14-16-27(29)28-15-12-24(3)22-30(28)35-34/h11-12,15-18,21-32H,5-10,13-14,19-20H2,1-4H3;17-26,29-30H,5-16,27-28H2,1-4H3;11-12,15-22,25-26H,5-10,13-14,23-24H2,1-4H3;13-20,23-24H,5-12,21-22H2,1-4H3;12-19,22-23H,5-11,20-21H2,1-4H3.
What are the key properties of 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 2976.74 g/mol, XLogP of 66.28, 66 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dihexyl-5-methylbenzo[g]fluoren-9-yl)-5-(5-methylthiophen-2-yl)thiophene;2-(9,9-dihexyl-7-methylfluoren-2-yl)-5-(5-methylthiophen-2-yl)thiophene;3-hexyl-2-(4-hexyl-5-methylthiophen-2-yl)-5-(7-methyl-9,9-diphenylfluoren-2-yl)thiophene;6-hexyl-3-methyl-8-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-6-pentylbenzo[c]chromene;2-methyl-5-[5-[5-(7-methyl-9,9-dioctylfluoren-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 160815399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).