1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene

C185H140O11 — CID 161120725

IUPAC1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene
SMILESCOc1ccc(C#Cc2ccc(C)cc2)cc1.COc1ccc(C2(c3ccc(Oc4ccc(-c5ccccc5)c(C)c4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(Oc4ccc(C#Cc5ccc(C)cc5)cc4C)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc2cc(C3(c4ccc5cc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C48H34O3.C42H32O2.C40H30O3.C39H30O2.C16H14O/c1-31-11-13-32(14-12-31)47(49)33-17-23-40(24-18-33)51-42-26-20-35-28-39(22-16-37(35)30-42)48(38-21-15-36-29-41(50-2)25-19-34(36)27-38)45-9-5-3-7-43(45)44-8-4-6-10-46(44)48;1-29-12-14-31(15-13-29)16-17-32-18-27-41(30(2)28-32)44-36-25-21-34(22-26-36)42(33-19-23-35(43-3)24-20-33)39-10-6-4-8-37(39)38-9-5-7-11-40(38)42;1-27-11-13-28(14-12-27)39(41)29-15-21-33(22-16-29)43-34-25-19-31(20-26-34)40(30-17-23-32(42-2)24-18-30)37-9-5-3-7-35(37)36-8-4-6-10-38(36)40;1-27-26-33(24-25-34(27)28-10-4-3-5-11-28)41-32-22-18-30(19-23-32)39(29-16-20-31(40-2)21-17-29)37-14-8-6-12-35(37)36-13-7-9-15-38(36)39;1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15/h3-30H,1-2H3;4-15,18-28H,1-3H3;3-26H,1-2H3;3-26H,1-2H3;3-6,9-12H,1-2H3
InChIKeyUKXJUBVMVWMCMH-UHFFFAOYSA-N
MW2539.14 g/mol
LogP44.18
Rot. Bonds26

About 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene

1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene (PubChem CID 161120725) has the molecular formula C185H140O11 and a molecular weight of 2539.14 g/mol. Its IUPAC name is 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene.

Molecular Properties

Compound Name1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene
PubChem CID161120725
Molecular FormulaC185H140O11
Molecular Weight2539.14 g/mol
Exact Mass2537.04
IUPAC Name1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene
SMILESCOc1ccc(C#Cc2ccc(C)cc2)cc1.COc1ccc(C2(c3ccc(Oc4ccc(-c5ccccc5)c(C)c4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(Oc4ccc(C#Cc5ccc(C)cc5)cc4C)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc2cc(C3(c4ccc5cc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1
InChIInChI=1S/C48H34O3.C42H32O2.C40H30O3.C39H30O2.C16H14O/c1-31-11-13-32(14-12-31)47(49)33-17-23-40(24-18-33)51-42-26-20-35-28-39(22-16-37(35)30-42)48(38-21-15-36-29-41(50-2)25-19-34(36)27-38)45-9-5-3-7-43(45)44-8-4-6-10-46(44)48;1-29-12-14-31(15-13-29)16-17-32-18-27-41(30(2)28-32)44-36-25-21-34(22-26-36)42(33-19-23-35(43-3)24-20-33)39-10-6-4-8-37(39)38-9-5-7-11-40(38)42;1-27-11-13-28(14-12-27)39(41)29-15-21-33(22-16-29)43-34-25-19-31(20-26-34)40(30-17-23-32(42-2)24-18-30)37-9-5-3-7-35(37)36-8-4-6-10-38(36)40;1-27-26-33(24-25-34(27)28-10-4-3-5-11-28)41-32-22-18-30(19-23-32)39(29-16-20-31(40-2)21-17-29)37-14-8-6-12-35(37)36-13-7-9-15-38(36)39;1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15/h3-30H,1-2H3;4-15,18-28H,1-3H3;3-26H,1-2H3;3-26H,1-2H3;3-6,9-12H,1-2H3
InChIKeyUKXJUBVMVWMCMH-UHFFFAOYSA-N
XLogP44.18
TPSA117.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds26
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002539.14
LogP ≤ 544.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene?
The IUPAC name of 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene (CID 161120725) is 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene.
What is the SMILES notation for 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene?
The canonical SMILES for 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene is COc1ccc(C#Cc2ccc(C)cc2)cc1.COc1ccc(C2(c3ccc(Oc4ccc(-c5ccccc5)c(C)c4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(Oc4ccc(C#Cc5ccc(C)cc5)cc4C)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(C2(c3ccc(Oc4ccc(C(=O)c5ccc(C)cc5)cc4)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc2cc(C3(c4ccc5cc(Oc6ccc(C(=O)c7ccc(C)cc7)cc6)ccc5c4)c4ccccc4-c4ccccc43)ccc2c1.
What is the InChIKey of 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene?
The InChIKey is UKXJUBVMVWMCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34O3.C42H32O2.C40H30O3.C39H30O2.C16H14O/c1-31-11-13-32(14-12-31)47(49)33-17-23-40(24-18-33)51-42-26-20-35-28-39(22-16-37(35)30-42)48(38-21-15-36-29-41(50-2)25-19-34(36)27-38)45-9-5-3-7-43(45)44-8-4-6-10-46(44)48;1-29-12-14-31(15-13-29)16-17-32-18-27-41(30(2)28-32)44-36-25-21-34(22-26-36)42(33-19-23-35(43-3)24-20-33)39-10-6-4-8-37(39)38-9-5-7-11-40(38)42;1-27-11-13-28(14-12-27)39(41)29-15-21-33(22-16-29)43-34-25-19-31(20-26-34)40(30-17-23-32(42-2)24-18-30)37-9-5-3-7-35(37)36-8-4-6-10-38(36)40;1-27-26-33(24-25-34(27)28-10-4-3-5-11-28)41-32-22-18-30(19-23-32)39(29-16-20-31(40-2)21-17-29)37-14-8-6-12-35(37)36-13-7-9-15-38(36)39;1-13-3-5-14(6-4-13)7-8-15-9-11-16(17-2)12-10-15/h3-30H,1-2H3;4-15,18-28H,1-3H3;3-26H,1-2H3;3-26H,1-2H3;3-6,9-12H,1-2H3.
What are the key properties of 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene?
1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene has a molecular weight of 2539.14 g/mol, XLogP of 44.18, 26 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2-(4-methylphenyl)ethynyl]benzene;[4-[6-[9-(6-methoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxyphenyl]-(4-methylphenyl)methanone;[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;9-(4-methoxyphenyl)-9-[4-[2-methyl-4-[2-(4-methylphenyl)ethynyl]phenoxy]phenyl]fluorene;9-(4-methoxyphenyl)-9-[4-(3-methyl-4-phenylphenoxy)phenyl]fluorene is sourced from PubChem (CID 161120725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).