1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one

C155H130OS6 — CID 161007785

IUPAC1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
SMILESCC.CC.CC.CC.Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccc(C)cc5)cc4)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccs5)s4)cc(-c4ccc(-c5ccc(C)s5)s4)c3)s2)s1.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C44H34.C42H30.C32H22S6.C29H20O.4C2H6/c1-31-8-12-34(13-9-31)37-18-24-40(25-19-37)43-28-42(39-22-16-36(17-23-39)33-6-4-3-5-7-33)29-44(30-43)41-26-20-38(21-27-41)35-14-10-32(2)11-15-35;1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-19-5-7-29(34-19)31-13-10-25(37-31)22-16-21(24-9-12-28(36-24)27-4-3-15-33-27)17-23(18-22)26-11-14-32(38-26)30-8-6-20(2)35-30;30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;4*1-2/h3-30H,1-2H3;1-30H;3-18H,1-2H3;1-20H;4*1-2H3
InChIKeyTWSQOPPXEBGTJB-UHFFFAOYSA-N
MW2201.15 g/mol
LogP47.56
Rot. Bonds22

About 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one

1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one (PubChem CID 161007785) has the molecular formula C155H130OS6 and a molecular weight of 2201.15 g/mol. Its IUPAC name is 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one.

Molecular Properties

Compound Name1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
PubChem CID161007785
Molecular FormulaC155H130OS6
Molecular Weight2201.15 g/mol
Exact Mass2198.84
IUPAC Name1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
SMILESCC.CC.CC.CC.Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccc(C)cc5)cc4)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccs5)s4)cc(-c4ccc(-c5ccc(C)s5)s4)c3)s2)s1.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C44H34.C42H30.C32H22S6.C29H20O.4C2H6/c1-31-8-12-34(13-9-31)37-18-24-40(25-19-37)43-28-42(39-22-16-36(17-23-39)33-6-4-3-5-7-33)29-44(30-43)41-26-20-38(21-27-41)35-14-10-32(2)11-15-35;1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-19-5-7-29(34-19)31-13-10-25(37-31)22-16-21(24-9-12-28(36-24)27-4-3-15-33-27)17-23(18-22)26-11-14-32(38-26)30-8-6-20(2)35-30;30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;4*1-2/h3-30H,1-2H3;1-30H;3-18H,1-2H3;1-20H;4*1-2H3
InChIKeyTWSQOPPXEBGTJB-UHFFFAOYSA-N
XLogP47.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms162
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002201.15
LogP ≤ 547.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
The IUPAC name of 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one (CID 161007785) is 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one.
What is the SMILES notation for 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
The canonical SMILES for 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one is CC.CC.CC.CC.Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)cc(-c4ccc(-c5ccc(C)cc5)cc4)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccs5)s4)cc(-c4ccc(-c5ccc(C)s5)s4)c3)s2)s1.O=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
The InChIKey is TWSQOPPXEBGTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34.C42H30.C32H22S6.C29H20O.4C2H6/c1-31-8-12-34(13-9-31)37-18-24-40(25-19-37)43-28-42(39-22-16-36(17-23-39)33-6-4-3-5-7-33)29-44(30-43)41-26-20-38(21-27-41)35-14-10-32(2)11-15-35;1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33;1-19-5-7-29(34-19)31-13-10-25(37-31)22-16-21(24-9-12-28(36-24)27-4-3-15-33-27)17-23(18-22)26-11-14-32(38-26)30-8-6-20(2)35-30;30-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(29)24-19-11-4-12-20-24;4*1-2/h3-30H,1-2H3;1-30H;3-18H,1-2H3;1-20H;4*1-2H3.
What are the key properties of 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one?
1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one has a molecular weight of 2201.15 g/mol, XLogP of 47.56, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[4-(4-methylphenyl)phenyl]-5-(4-phenylphenyl)benzene;2-[3,5-bis[5-(5-methylthiophen-2-yl)thiophen-2-yl]phenyl]-5-thiophen-2-ylthiophene;ethane;1,2,3,4,5,6-hexakis-phenylbenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one is sourced from PubChem (CID 161007785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).