6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene

C42H26O2 — CID 70923610

IUPAC6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
SMILESC1=CC2Oc3cc(-c4cccc5ccccc45)ccc3C2c2ccc3oc4cc(-c5cccc6ccccc56)ccc4c3c21
InChIInChI=1S/C42H26O2/c1-3-11-29-25(7-1)9-5-13-31(29)27-15-17-35-39(23-27)43-37-21-19-34-33(41(35)37)20-22-38-42(34)36-18-16-28(24-40(36)44-38)32-14-6-10-26-8-2-4-12-30(26)32/h1-24,37,41H
InChIKeyADEYBCHEKFYDES-UHFFFAOYSA-N
MW562.67 g/mol
LogP11.15
Rot. Bonds2

About 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene

6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene (PubChem CID 70923610) has the molecular formula C42H26O2 and a molecular weight of 562.67 g/mol. Its IUPAC name is 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene.

Molecular Properties

Compound Name6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
PubChem CID70923610
Molecular FormulaC42H26O2
Molecular Weight562.67 g/mol
Exact Mass562.19
IUPAC Name6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
SMILESC1=CC2Oc3cc(-c4cccc5ccccc45)ccc3C2c2ccc3oc4cc(-c5cccc6ccccc56)ccc4c3c21
InChIInChI=1S/C42H26O2/c1-3-11-29-25(7-1)9-5-13-31(29)27-15-17-35-39(23-27)43-37-21-19-34-33(41(35)37)20-22-38-42(34)36-18-16-28(24-40(36)44-38)32-14-6-10-26-8-2-4-12-30(26)32/h1-24,37,41H
InChIKeyADEYBCHEKFYDES-UHFFFAOYSA-N
XLogP11.15
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.67
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene with MolForge

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Related Compounds

2-dibenzofuran-3-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324538
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-naphtho[2,1-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazine
CID 176587967
5,18-dinaphthalen-1-yl-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 118933534
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
6,18-dinaphthalen-1-yl-9,21-dithiahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene
CID 70923546
N-(4-dibenzofuran-3-ylphenyl)-4-(3-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 159589004
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
2-[9-(5a,9a-dihydrodibenzofuran-3-yl)dibenzofuran-1-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 170245080
3-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 122426333
7-chloro-2-naphthalen-1-yldibenzofuran
CID 171597258
N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-6-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300583

Frequently Asked Questions

What is the IUPAC name of 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
The IUPAC name of 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene (CID 70923610) is 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene.
What is the SMILES notation for 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
The canonical SMILES for 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene is C1=CC2Oc3cc(-c4cccc5ccccc45)ccc3C2c2ccc3oc4cc(-c5cccc6ccccc56)ccc4c3c21.
What is the InChIKey of 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
The InChIKey is ADEYBCHEKFYDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O2/c1-3-11-29-25(7-1)9-5-13-31(29)27-15-17-35-39(23-27)43-37-21-19-34-33(41(35)37)20-22-38-42(34)36-18-16-28(24-40(36)44-38)32-14-6-10-26-8-2-4-12-30(26)32/h1-24,37,41H.
What are the key properties of 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene?
6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene has a molecular weight of 562.67 g/mol, XLogP of 11.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,18-dinaphthalen-1-yl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,15(20),16,18,23-decaene is sourced from PubChem (CID 70923610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).