4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran

C42H30O — CID 145295470

IUPAC4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran
SMILESC1=Cc2c(c(-c3cccc4c3C=CCC4c3ccccc3)c3ccccc3c2-c2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C42H30O/c1-2-13-27(14-3-1)28-20-10-22-30-29(28)21-11-23-32(30)40-33-16-4-6-18-35(33)41(36-19-7-5-17-34(36)40)38-25-12-24-37-31-15-8-9-26-39(31)43-42(37)38/h1-4,6-16,18-19,21-26,28H,5,17,20H2
InChIKeyFKVNTBGVTCRNHN-UHFFFAOYSA-N
MW550.70 g/mol
LogP11.58
Rot. Bonds3

About 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran

4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran (PubChem CID 145295470) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran
PubChem CID145295470
Molecular FormulaC42H30O
Molecular Weight550.70 g/mol
Exact Mass550.23
IUPAC Name4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran
SMILESC1=Cc2c(c(-c3cccc4c3C=CCC4c3ccccc3)c3ccccc3c2-c2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C42H30O/c1-2-13-27(14-3-1)28-20-10-22-30-29(28)21-11-23-32(30)40-33-16-4-6-18-35(33)41(36-19-7-5-17-34(36)40)38-25-12-24-37-31-15-8-9-26-39(31)43-42(37)38/h1-4,6-16,18-19,21-26,28H,5,17,20H2
InChIKeyFKVNTBGVTCRNHN-UHFFFAOYSA-N
XLogP11.58
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-(2-phenylphenyl)-3,4-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 144583429
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
1-[10-(6,7-dihydrodibenzofuran-4-yl)anthracen-9-yl]dibenzofuran
CID 135208618
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 154961760
6-(10-phenylanthracen-9-yl)-1,2-dihydrodibenzofuran
CID 87631578
6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424511
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541694
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833

Frequently Asked Questions

What is the IUPAC name of 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran (CID 145295470) is 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran is C1=Cc2c(c(-c3cccc4c3C=CCC4c3ccccc3)c3ccccc3c2-c2cccc3c2oc2ccccc23)CC1.
What is the InChIKey of 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran?
The InChIKey is FKVNTBGVTCRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-2-13-27(14-3-1)28-20-10-22-30-29(28)21-11-23-32(30)40-33-16-4-6-18-35(33)41(36-19-7-5-17-34(36)40)38-25-12-24-37-31-15-8-9-26-39(31)43-42(37)38/h1-4,6-16,18-19,21-26,28H,5,17,20H2.
What are the key properties of 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran?
4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran has a molecular weight of 550.70 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran is sourced from PubChem (CID 145295470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).