10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C49H34O2 — CID 162498649

IUPAC10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESC(=C/c1cc2ccccc2c2c1OCOc1c(/C=C/c3ccc(-c4ccccc4)cc3)cc3ccccc3c1-2)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H34O2/c1-3-11-36(12-4-1)38-25-19-34(20-26-38)23-29-42-31-40-15-7-9-17-44(40)46-47-45-18-10-8-16-41(45)32-43(49(47)51-33-50-48(42)46)30-24-35-21-27-39(28-22-35)37-13-5-2-6-14-37/h1-32H,33H2/b29-23+,30-24+
InChIKeyKYZYEKOZABZNPY-HCTXVGCHSA-N
MW654.81 g/mol
LogP13.06
Rot. Bonds6

About 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 162498649) has the molecular formula C49H34O2 and a molecular weight of 654.81 g/mol. Its IUPAC name is 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID162498649
Molecular FormulaC49H34O2
Molecular Weight654.81 g/mol
Exact Mass654.26
IUPAC Name10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESC(=C/c1cc2ccccc2c2c1OCOc1c(/C=C/c3ccc(-c4ccccc4)cc3)cc3ccccc3c1-2)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C49H34O2/c1-3-11-36(12-4-1)38-25-19-34(20-26-38)23-29-42-31-40-15-7-9-17-44(40)46-47-45-18-10-8-16-41(45)32-43(49(47)51-33-50-48(42)46)30-24-35-21-27-39(28-22-35)37-13-5-2-6-14-37/h1-32H,33H2/b29-23+,30-24+
InChIKeyKYZYEKOZABZNPY-HCTXVGCHSA-N
XLogP13.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.81
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene with MolForge

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Related Compounds

3-[(Z)-2-[16-[(Z)-2-pyridin-3-ylethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]pyridine
CID 162498627
[3-[(Z)-2-[16-[(Z)-2-(3-benzoyloxyphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]phenyl] benzoate
CID 162498685
phenyl 2-(hydroxymethyl)-4-[(Z)-2-[16-[(Z)-2-[3-(hydroxymethyl)-4-phenoxycarbonylphenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]ethenyl]benzoate
CID 162498663
9-[2-[4-[4-(2-phenanthren-9-ylethenyl)phenyl]phenyl]ethenyl]phenanthrene
CID 76595771
5,22-bis[(Z)-2-(4-methoxyphenyl)ethenyl]-3,24-dioxahexacyclo[24.3.1.04,13.07,12.014,23.015,20]triaconta-1(30),4(13),5,7,9,11,14(23),15,17,19,21,26,28-tridecaene
CID 166890091
[4-[(Z)-2-[6,20-dibromo-16-[(Z)-2-[4-(hydroxymethyl)phenyl]ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaen-10-yl]ethenyl]phenyl]methanol
CID 162498648
9-[4-(3,5-diphenylphenyl)phenyl]-10-[4-[2-(4-naphthalen-1-ylnaphthalen-1-yl)ethenyl]phenyl]anthracene
CID 123749528
9,10-diphenyl-2-[2-[2-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]ethenyl]phenyl]anthracene
CID 58402318
9-(3,5-diphenylphenyl)-10-[4-[2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 123864327
9-(3,5-diphenylphenyl)-10-[4-[(E)-2-(4-naphthalen-2-ylphenyl)ethenyl]phenyl]anthracene
CID 140834635
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
9-[4-[6-[(E)-2-[6-(4-anthracen-9-ylphenyl)naphthalen-2-yl]ethenyl]naphthalen-2-yl]phenyl]anthracene
CID 59801167

Frequently Asked Questions

What is the IUPAC name of 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 162498649) is 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is C(=C/c1cc2ccccc2c2c1OCOc1c(/C=C/c3ccc(-c4ccccc4)cc3)cc3ccccc3c1-2)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is KYZYEKOZABZNPY-HCTXVGCHSA-N. The full InChI is InChI=1S/C49H34O2/c1-3-11-36(12-4-1)38-25-19-34(20-26-38)23-29-42-31-40-15-7-9-17-44(40)46-47-45-18-10-8-16-41(45)32-43(49(47)51-33-50-48(42)46)30-24-35-21-27-39(28-22-35)37-13-5-2-6-14-37/h1-32H,33H2/b29-23+,30-24+.
What are the key properties of 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 654.81 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,16-bis[(E)-2-(4-phenylphenyl)ethenyl]-12,14-dioxapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 162498649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).