5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene

C42H28O2 — CID 89104661

IUPAC5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene
SMILESC1=CC2=CC=C(C3=CC4=C(CC3)c3cc5oc6cc(-c7ccc8ccccc8c7)ccc6c5c5cccc(c35)O4)CC2C=C1
InChIInChI=1S/C42H28O2/c1-3-8-27-20-29(14-12-25(27)6-1)31-16-18-33-36-24-40-41(35-10-5-11-37(42(35)36)43-38(33)22-31)34-19-17-32(23-39(34)44-40)30-15-13-26-7-2-4-9-28(26)21-30/h1-15,17,19,21-24,27H,16,18,20H2
InChIKeyPBOOLUPGHMWQHT-UHFFFAOYSA-N
MW564.68 g/mol
LogP11.38
Rot. Bonds2

About 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene

5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene (PubChem CID 89104661) has the molecular formula C42H28O2 and a molecular weight of 564.68 g/mol. Its IUPAC name is 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene.

Molecular Properties

Compound Name5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene
PubChem CID89104661
Molecular FormulaC42H28O2
Molecular Weight564.68 g/mol
Exact Mass564.21
IUPAC Name5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene
SMILESC1=CC2=CC=C(C3=CC4=C(CC3)c3cc5oc6cc(-c7ccc8ccccc8c7)ccc6c5c5cccc(c35)O4)CC2C=C1
InChIInChI=1S/C42H28O2/c1-3-8-27-20-29(14-12-25(27)6-1)31-16-18-33-36-24-40-41(35-10-5-11-37(42(35)36)43-38(33)22-31)34-19-17-32(23-39(34)44-40)30-15-13-26-7-2-4-9-28(26)21-30/h1-15,17,19,21-24,27H,16,18,20H2
InChIKeyPBOOLUPGHMWQHT-UHFFFAOYSA-N
XLogP11.38
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.68
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene with MolForge

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Related Compounds

5,18-bis(10-naphthalen-2-ylanthracen-9-yl)-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15(20),16,18-undecaene
CID 59182108
10-[3-[4-(1,8a-dihydronaphthalen-2-yl)-2,3-bis(ethenyl)naphthalen-1-yl]phenyl]-1-phenylnaphtho[2,1-b][1]benzofuran-2-ol
CID 130212548
7-[10-(1,8a-dihydronaphthalen-2-yl)anthracen-9-yl]-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 130212365
2-[4-[4-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)pyrimidin-2-yl]phenyl]-1,3-benzoxazole
CID 170047023
2-[3-[10-[3-(6,6a-dihydronaphtho[2,3-b][1]benzofuran-1-yl)phenyl]anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 155203864
2-(7-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylcyclohexa-1,3-dien-1-yl)-1,3,5-triazine
CID 170220392
N-(1,8a-dihydronaphthalen-2-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 167143394
2-(4,4a-dihydronaphthalen-2-ylmethyl)-4-naphthalen-2-yl-6-(8-naphthalen-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167008224
20-[10-(5-naphthalen-1-ylcyclohexa-1,3-dien-1-yl)anthracen-9-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 163886915
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 170017927
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483

Frequently Asked Questions

What is the IUPAC name of 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene?
The IUPAC name of 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene (CID 89104661) is 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene.
What is the SMILES notation for 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene?
The canonical SMILES for 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene is C1=CC2=CC=C(C3=CC4=C(CC3)c3cc5oc6cc(-c7ccc8ccccc8c7)ccc6c5c5cccc(c35)O4)CC2C=C1.
What is the InChIKey of 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene?
The InChIKey is PBOOLUPGHMWQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28O2/c1-3-8-27-20-29(14-12-25(27)6-1)31-16-18-33-36-24-40-41(35-10-5-11-37(42(35)36)43-38(33)22-31)34-19-17-32(23-39(34)44-40)30-15-13-26-7-2-4-9-28(26)21-30/h1-15,17,19,21-24,27H,16,18,20H2.
What are the key properties of 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene?
5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene has a molecular weight of 564.68 g/mol, XLogP of 11.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,8a-dihydronaphthalen-2-yl)-18-naphthalen-2-yl-8,21-dioxahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),5,9,11,13(24),14(22),15(20),16,18-decaene is sourced from PubChem (CID 89104661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).