6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

C48H28O2 — CID 163460893

IUPAC6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H28O2/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)43-33-14-4-6-16-35(33)44(36-17-7-5-15-34(36)43)32-26-27-40-42(28-32)50-48-38-19-9-8-18-37(38)47-45(46(40)48)39-20-10-11-21-41(39)49-47/h1-28H
InChIKeyVFZVAMQKPJLQNP-UHFFFAOYSA-N
MW636.75 g/mol
LogP13.95
Rot. Bonds3

About 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene

6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (PubChem CID 163460893) has the molecular formula C48H28O2 and a molecular weight of 636.75 g/mol. Its IUPAC name is 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
PubChem CID163460893
Molecular FormulaC48H28O2
Molecular Weight636.75 g/mol
Exact Mass636.21
IUPAC Name6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)cc2)cc1
InChIInChI=1S/C48H28O2/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)43-33-14-4-6-16-35(33)44(36-17-7-5-15-34(36)43)32-26-27-40-42(28-32)50-48-38-19-9-8-18-37(38)47-45(46(40)48)39-20-10-11-21-41(39)49-47/h1-28H
InChIKeyVFZVAMQKPJLQNP-UHFFFAOYSA-N
XLogP13.95
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.75
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

16-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426254
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286
18-[10-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)anthracen-9-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118402724
20-(10-phenylanthracen-9-yl)-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 163723862
3-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 146350651
18-(10-dibenzofuran-2-ylanthracen-9-yl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 90433540
4-[6-[3-[10-[3-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-2-yl]-18-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 135218995
6-[12-(6-phenylnaphthalen-2-yl)benzo[10]annulen-5-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130212424
2-(10-dibenzofuran-3-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176746338
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
7-(10-phenylanthracen-9-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 122425853

Frequently Asked Questions

What is the IUPAC name of 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The IUPAC name of 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene (CID 163460893) is 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The canonical SMILES for 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)oc4c6ccccc6c6oc7ccccc7c6c54)c4ccccc34)cc2)cc1.
What is the InChIKey of 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
The InChIKey is VFZVAMQKPJLQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28O2/c1-2-12-29(13-3-1)30-22-24-31(25-23-30)43-33-14-4-6-16-35(33)44(36-17-7-5-15-34(36)43)32-26-27-40-42(28-32)50-48-38-19-9-8-18-37(38)47-45(46(40)48)39-20-10-11-21-41(39)49-47/h1-28H.
What are the key properties of 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene?
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene has a molecular weight of 636.75 g/mol, XLogP of 13.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 163460893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).