9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

C64H42O — CID 123394330

IUPAC9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
SMILESC1=CCC2C(=C1)C=C(c1cc(-c3ccccc3)c3oc4c(-c5ccccc5)cc(-c5cc(-c6ccccc6)c6ccccc6c5)c5cccc(c6cccc1c36)c54)C=C2c1ccccc1
InChIInChI=1S/C64H42O/c1-5-19-41(20-6-1)55-37-47(35-45-27-13-15-29-49(45)55)57-39-59(43-23-9-3-10-24-43)63-61-51(31-17-33-53(57)61)52-32-18-34-54-58(40-60(64(65-63)62(52)54)44-25-11-4-12-26-44)48-36-46-28-14-16-30-50(46)56(38-48)42-21-7-2-8-22-42/h1-29,31-40,50H,30H2
InChIKeyHAOSNNYJQMWOFM-UHFFFAOYSA-N
MW827.04 g/mol
LogP17.70
Rot. Bonds6

About 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene

9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (PubChem CID 123394330) has the molecular formula C64H42O and a molecular weight of 827.04 g/mol. Its IUPAC name is 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.

Molecular Properties

Compound Name9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
PubChem CID123394330
Molecular FormulaC64H42O
Molecular Weight827.04 g/mol
Exact Mass826.32
IUPAC Name9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
SMILESC1=CCC2C(=C1)C=C(c1cc(-c3ccccc3)c3oc4c(-c5ccccc5)cc(-c5cc(-c6ccccc6)c6ccccc6c5)c5cccc(c6cccc1c36)c54)C=C2c1ccccc1
InChIInChI=1S/C64H42O/c1-5-19-41(20-6-1)55-37-47(35-45-27-13-15-29-49(45)55)57-39-59(43-23-9-3-10-24-43)63-61-51(31-17-33-53(57)61)52-32-18-34-54-58(40-60(64(65-63)62(52)54)44-25-11-4-12-26-44)48-36-46-28-14-16-30-50(46)56(38-48)42-21-7-2-8-22-42/h1-29,31-40,50H,30H2
InChIKeyHAOSNNYJQMWOFM-UHFFFAOYSA-N
XLogP17.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,9,13-triphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2(21),3,5,7,9,12,14,16(20),17-decaene
CID 118145411
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155335028
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
9-bromo-13-iodo-7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 118145358
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
1,6-dinaphthalen-1-yl-3,8-diphenylpyrene
CID 59391123
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
2-(1,11b-dihydronaphtho[3,2-b][1]benzofuran-11-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 174270374
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
1,3-bis(3-naphthalen-1-ylphenyl)-6,8-diphenylpyrene
CID 170778741
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290545

Frequently Asked Questions

What is the IUPAC name of 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The IUPAC name of 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene (CID 123394330) is 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene.
What is the SMILES notation for 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The canonical SMILES for 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is C1=CCC2C(=C1)C=C(c1cc(-c3ccccc3)c3oc4c(-c5ccccc5)cc(-c5cc(-c6ccccc6)c6ccccc6c5)c5cccc(c6cccc1c36)c54)C=C2c1ccccc1.
What is the InChIKey of 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
The InChIKey is HAOSNNYJQMWOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42O/c1-5-19-41(20-6-1)55-37-47(35-45-27-13-15-29-49(45)55)57-39-59(43-23-9-3-10-24-43)63-61-51(31-17-33-53(57)61)52-32-18-34-54-58(40-60(64(65-63)62(52)54)44-25-11-4-12-26-44)48-36-46-28-14-16-30-50(46)56(38-48)42-21-7-2-8-22-42/h1-29,31-40,50H,30H2.
What are the key properties of 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene?
9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene has a molecular weight of 827.04 g/mol, XLogP of 17.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,13-diphenyl-7-(4-phenyl-4a,5-dihydronaphthalen-2-yl)-15-(4-phenylnaphthalen-2-yl)-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene is sourced from PubChem (CID 123394330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).