1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran

C56H44O — CID 163499660

IUPAC1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran
SMILESC1=CC(c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6c(c(C7=C8CCCCC8CC=C7)c7ccccc57)CCC=C6)c34)c3ccccc23)=CCC1
InChIInChI=1S/C56H44O/c1-2-18-36(19-3-1)51-39-22-6-8-24-41(39)54(42-25-9-7-23-40(42)51)48-32-15-33-49-55-47(31-16-34-50(55)57-56(48)49)53-45-28-12-10-26-43(45)52(44-27-11-13-29-46(44)53)38-30-14-20-35-17-4-5-21-37(35)38/h2,6-10,12-16,18-19,22-26,28-35H,1,3-5,11,17,20-21,27H2
InChIKeyCTPSZQBXKJPHPE-UHFFFAOYSA-N
MW732.97 g/mol
LogP15.98
Rot. Bonds4

About 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran

1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran (PubChem CID 163499660) has the molecular formula C56H44O and a molecular weight of 732.97 g/mol. Its IUPAC name is 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran
PubChem CID163499660
Molecular FormulaC56H44O
Molecular Weight732.97 g/mol
Exact Mass732.34
IUPAC Name1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran
SMILESC1=CC(c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6c(c(C7=C8CCCCC8CC=C7)c7ccccc57)CCC=C6)c34)c3ccccc23)=CCC1
InChIInChI=1S/C56H44O/c1-2-18-36(19-3-1)51-39-22-6-8-24-41(39)54(42-25-9-7-23-40(42)51)48-32-15-33-49-55-47(31-16-34-50(55)57-56(48)49)53-45-28-12-10-26-43(45)52(44-27-11-13-29-46(44)53)38-30-14-20-35-17-4-5-21-37(35)38/h2,6-10,12-16,18-19,22-26,28-35H,1,3-5,11,17,20-21,27H2
InChIKeyCTPSZQBXKJPHPE-UHFFFAOYSA-N
XLogP15.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.97
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran with MolForge

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Related Compounds

4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran
CID 145295470
1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
CID 135208618
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-1,3,5-triazine
CID 167181703
5-(10-phenyl-1,2-dihydroanthracen-9-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 174288134
10-[6-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-ol
CID 163725515
7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205203
7-[10-(2-phenylphenyl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205350
2-cyclohexa-1,5-dien-1-yl-4-naphthalen-2-yl-6-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 170144747
2-[6-(8-cyclohexa-1,5-dien-1-yldibenzothiophen-1-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166744472
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
7-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205865
2-cyclohexa-1,5-dien-1-yl-4-dibenzofuran-4-yl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 145448035

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran (CID 163499660) is 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran is C1=CC(c2c3ccccc3c(-c3cccc4c3oc3cccc(-c5c6c(c(C7=C8CCCCC8CC=C7)c7ccccc57)CCC=C6)c34)c3ccccc23)=CCC1.
What is the InChIKey of 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran?
The InChIKey is CTPSZQBXKJPHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44O/c1-2-18-36(19-3-1)51-39-22-6-8-24-41(39)54(42-25-9-7-23-40(42)51)48-32-15-33-49-55-47(31-16-34-50(55)57-56(48)49)53-45-28-12-10-26-43(45)52(44-27-11-13-29-46(44)53)38-30-14-20-35-17-4-5-21-37(35)38/h2,6-10,12-16,18-19,22-26,28-35H,1,3-5,11,17,20-21,27H2.
What are the key properties of 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran?
1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran has a molecular weight of 732.97 g/mol, XLogP of 15.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4,4a,5,6,7,8-hexahydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]-6-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 163499660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).