6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

C42H26O2 — CID 130212306

IUPAC6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESC1=c2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5cc6cc7c(cc6cc5c4c3)oc3ccccc37)c2=CCC1
InChIInChI=1S/C42H26O2/c1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-38-35(20-26)36-22-28-23-39-34(21-27(28)24-40(36)44-38)29-12-8-9-17-37(29)43-39/h1-4,6,8-24H,5,7H2
InChIKeyCSINLIOTZFVPNY-UHFFFAOYSA-N
MW562.67 g/mol
LogP10.48
Rot. Bonds2

About 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene

6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (PubChem CID 130212306) has the molecular formula C42H26O2 and a molecular weight of 562.67 g/mol. Its IUPAC name is 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
PubChem CID130212306
Molecular FormulaC42H26O2
Molecular Weight562.67 g/mol
Exact Mass562.19
IUPAC Name6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
SMILESC1=c2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5cc6cc7c(cc6cc5c4c3)oc3ccccc37)c2=CCC1
InChIInChI=1S/C42H26O2/c1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-38-35(20-26)36-22-28-23-39-34(21-27(28)24-40(36)44-38)29-12-8-9-17-37(29)43-39/h1-4,6,8-24H,5,7H2
InChIKeyCSINLIOTZFVPNY-UHFFFAOYSA-N
XLogP10.48
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

CID 165025337
CID 165025337
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
2-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 90433351
20-(10-phenylanthracen-9-yl)-10-oxa-16-thiahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17(22),18,20,23-undecaene
CID 163891654
2-(3,10-diphenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402744
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
6-(10-naphtho[2,3-b][1]benzofuran-2-yl-2,3-dihydroanthracen-9-yl)-1,2-diphenyl-[1]benzothiolo[4,5-b][1]benzofuran
CID 174264896
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 130213581
2-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 90433458

Frequently Asked Questions

What is the IUPAC name of 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene (CID 130212306) is 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is C1=c2c(-c3ccccc3)c3ccccc3c(-c3ccc4oc5cc6cc7c(cc6cc5c4c3)oc3ccccc37)c2=CCC1.
What is the InChIKey of 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
The InChIKey is CSINLIOTZFVPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O2/c1-2-10-25(11-3-1)41-30-13-4-6-15-32(30)42(33-16-7-5-14-31(33)41)26-18-19-38-35(20-26)36-22-28-23-39-34(21-27(28)24-40(36)44-38)29-12-8-9-17-37(29)43-39/h1-4,6,8-24H,5,7H2.
What are the key properties of 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene?
6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene has a molecular weight of 562.67 g/mol, XLogP of 10.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-phenyl-2,3-dihydroanthracen-9-yl)-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 130212306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).