2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene

C148H160O7S — CID 157195912

IUPAC2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene
SMILESCCCOc1ccc(C2(c3ccc(OCCC)cc3)c3cc(C)ccc3-c3ccc(-c4cc(CC5CCCCC5)c(C)cc4CC4CCCCC4)cc32)cc1.CCCc1cc(-c2ccc3c(c2)oc2cc(C)ccc23)c(CCC)cc1C.CCOCCOc1ccc(C2(c3ccc(OCCOCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc(C)c5c4CCCC5)cc32)cc1.Cc1ccc2c(c1)sc1cc(-c3ccc(C)c4c3CCCC4)ccc12
InChIInChI=1S/C53H62O2.C45H48O4.C26H28O.C24H22S/c1-5-29-54-46-23-19-44(20-24-46)53(45-21-25-47(26-22-45)55-30-6-2)51-31-37(3)17-27-48(51)49-28-18-41(36-52(49)53)50-35-42(33-39-13-9-7-10-14-39)38(4)32-43(50)34-40-15-11-8-12-16-40;1-5-46-25-27-48-36-18-14-34(15-19-36)45(35-16-20-37(21-17-35)49-28-26-47-6-2)43-29-31(3)11-22-41(43)42-24-13-33(30-44(42)45)39-23-12-32(4)38-9-7-8-10-40(38)39;1-5-7-19-15-24(20(8-6-2)14-18(19)4)21-10-12-23-22-11-9-17(3)13-25(22)27-26(23)16-21;1-15-7-10-21-22-12-9-17(14-24(22)25-23(21)13-15)19-11-8-16(2)18-5-3-4-6-20(18)19/h17-28,31-32,35-36,39-40H,5-16,29-30,33-34H2,1-4H3;11-24,29-30H,5-10,25-28H2,1-4H3;9-16H,5-8H2,1-4H3;7-14H,3-6H2,1-2H3
InChIKeyAQGCUJNCQPMARU-UHFFFAOYSA-N
MW2082.97 g/mol
LogP39.19
Rot. Bonds32

About 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene

2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene (PubChem CID 157195912) has the molecular formula C148H160O7S and a molecular weight of 2082.97 g/mol. Its IUPAC name is 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene.

Molecular Properties

Compound Name2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene
PubChem CID157195912
Molecular FormulaC148H160O7S
Molecular Weight2082.97 g/mol
Exact Mass2081.19
IUPAC Name2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene
SMILESCCCOc1ccc(C2(c3ccc(OCCC)cc3)c3cc(C)ccc3-c3ccc(-c4cc(CC5CCCCC5)c(C)cc4CC4CCCCC4)cc32)cc1.CCCc1cc(-c2ccc3c(c2)oc2cc(C)ccc23)c(CCC)cc1C.CCOCCOc1ccc(C2(c3ccc(OCCOCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc(C)c5c4CCCC5)cc32)cc1.Cc1ccc2c(c1)sc1cc(-c3ccc(C)c4c3CCCC4)ccc12
InChIInChI=1S/C53H62O2.C45H48O4.C26H28O.C24H22S/c1-5-29-54-46-23-19-44(20-24-46)53(45-21-25-47(26-22-45)55-30-6-2)51-31-37(3)17-27-48(51)49-28-18-41(36-52(49)53)50-35-42(33-39-13-9-7-10-14-39)38(4)32-43(50)34-40-15-11-8-12-16-40;1-5-46-25-27-48-36-18-14-34(15-19-36)45(35-16-20-37(21-17-35)49-28-26-47-6-2)43-29-31(3)11-22-41(43)42-24-13-33(30-44(42)45)39-23-12-32(4)38-9-7-8-10-40(38)39;1-5-7-19-15-24(20(8-6-2)14-18(19)4)21-10-12-23-22-11-9-17(3)13-25(22)27-26(23)16-21;1-15-7-10-21-22-12-9-17(14-24(22)25-23(21)13-15)19-11-8-16(2)18-5-3-4-6-20(18)19/h17-28,31-32,35-36,39-40H,5-16,29-30,33-34H2,1-4H3;11-24,29-30H,5-10,25-28H2,1-4H3;9-16H,5-8H2,1-4H3;7-14H,3-6H2,1-2H3
InChIKeyAQGCUJNCQPMARU-UHFFFAOYSA-N
XLogP39.19
TPSA68.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002082.97
LogP ≤ 539.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene?
The IUPAC name of 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene (CID 157195912) is 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene.
What is the SMILES notation for 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene?
The canonical SMILES for 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene is CCCOc1ccc(C2(c3ccc(OCCC)cc3)c3cc(C)ccc3-c3ccc(-c4cc(CC5CCCCC5)c(C)cc4CC4CCCCC4)cc32)cc1.CCCc1cc(-c2ccc3c(c2)oc2cc(C)ccc23)c(CCC)cc1C.CCOCCOc1ccc(C2(c3ccc(OCCOCC)cc3)c3cc(C)ccc3-c3ccc(-c4ccc(C)c5c4CCCC5)cc32)cc1.Cc1ccc2c(c1)sc1cc(-c3ccc(C)c4c3CCCC4)ccc12.
What is the InChIKey of 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene?
The InChIKey is AQGCUJNCQPMARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H62O2.C45H48O4.C26H28O.C24H22S/c1-5-29-54-46-23-19-44(20-24-46)53(45-21-25-47(26-22-45)55-30-6-2)51-31-37(3)17-27-48(51)49-28-18-41(36-52(49)53)50-35-42(33-39-13-9-7-10-14-39)38(4)32-43(50)34-40-15-11-8-12-16-40;1-5-46-25-27-48-36-18-14-34(15-19-36)45(35-16-20-37(21-17-35)49-28-26-47-6-2)43-29-31(3)11-22-41(43)42-24-13-33(30-44(42)45)39-23-12-32(4)38-9-7-8-10-40(38)39;1-5-7-19-15-24(20(8-6-2)14-18(19)4)21-10-12-23-22-11-9-17(3)13-25(22)27-26(23)16-21;1-15-7-10-21-22-12-9-17(14-24(22)25-23(21)13-15)19-11-8-16(2)18-5-3-4-6-20(18)19/h17-28,31-32,35-36,39-40H,5-16,29-30,33-34H2,1-4H3;11-24,29-30H,5-10,25-28H2,1-4H3;9-16H,5-8H2,1-4H3;7-14H,3-6H2,1-2H3.
What are the key properties of 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene?
2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene has a molecular weight of 2082.97 g/mol, XLogP of 39.19, 32 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(cyclohexylmethyl)-4-methylphenyl]-7-methyl-9,9-bis(4-propoxyphenyl)fluorene;9,9-bis[4-(2-ethoxyethoxy)phenyl]-2-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)fluorene;3-methyl-7-(4-methyl-2,5-dipropylphenyl)dibenzofuran;3-methyl-7-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)dibenzothiophene is sourced from PubChem (CID 157195912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).