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

C38H24O — CID 118145411

IUPAC7,9,13-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
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccccc5)ccc5cccc(c6cccc2c36)c54)cc1
InChIInChI=1S/C38H24O/c1-4-12-25(13-5-1)29-23-22-28-18-10-19-30-31-20-11-21-32-33(26-14-6-2-7-15-26)24-34(27-16-8-3-9-17-27)38(36(31)32)39-37(29)35(28)30/h1-24H
InChIKeyCSJODEIWKZFDIC-UHFFFAOYSA-N
MW496.61 g/mol
LogP10.89
Rot. Bonds3

About 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

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 (PubChem CID 118145411) has the molecular formula C38H24O and a molecular weight of 496.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,9,13-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
PubChem CID118145411
Molecular FormulaC38H24O
Molecular Weight496.61 g/mol
Exact Mass496.18
IUPAC Name7,9,13-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
SMILESc1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccccc5)ccc5cccc(c6cccc2c36)c54)cc1
InChIInChI=1S/C38H24O/c1-4-12-25(13-5-1)29-23-22-28-18-10-19-30-31-20-11-21-32-33(26-14-6-2-7-15-26)24-34(27-16-8-3-9-17-27)38(36(31)32)39-37(29)35(28)30/h1-24H
InChIKeyCSJODEIWKZFDIC-UHFFFAOYSA-N
XLogP10.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

7-[[2-(2-methylphenyl)phenyl]methyl]-9,13-diphenyl-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 144854585
10-[4-(4-phenylnaphthalen-1-yl)phenyl]-7-pyren-1-ylnaphtho[1,2-b][1]benzofuran
CID 170940190
10-naphthalen-2-yl-4-phenyl-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940014
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
11-[4-(4-phenylphenyl)phenyl]-9-oxahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1,3,5,7,10,12,14,16(21),17,19-decaene
CID 164845553
5-phenyl-1-(3-phenylnaphthalen-2-yl)pyrene
CID 91537355
6-chloro-10-phenylnaphtho[1,2-b][1]benzofuran
CID 176775460
2-(4-phenylnaphthalen-1-yl)pyrene
CID 140737016
5-phenylpentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 162640084
4-phenyl-10-pyren-1-yl-7-(4-pyren-1-ylphenyl)naphtho[1,2-b][1]benzofuran
CID 170940335
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5ccccc5)ccc5cccc(c6cccc2c36)c54)cc1.
What is the InChIKey of 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?
The InChIKey is CSJODEIWKZFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O/c1-4-12-25(13-5-1)29-23-22-28-18-10-19-30-31-20-11-21-32-33(26-14-6-2-7-15-26)24-34(27-16-8-3-9-17-27)38(36(31)32)39-37(29)35(28)30/h1-24H.
What are the key properties of 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?
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 has a molecular weight of 496.61 g/mol, XLogP of 10.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118145411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).