6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran

C50H32O — CID 155426393

IUPAC6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3c(-c4cc5c(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cccc5c5ccccc45)cccc3C2C=C1
InChIInChI=1S/C50H32O/c1-2-16-32-31(14-1)15-11-25-37(32)48-38-20-5-7-22-40(38)49(41-23-8-6-21-39(41)48)42-26-12-24-35-33-17-3-4-18-34(33)46(30-45(35)42)44-28-13-27-43-36-19-9-10-29-47(36)51-50(43)44/h1-30,36,47H
InChIKeyXVLGXBBXGFGGPL-UHFFFAOYSA-N
MW648.81 g/mol
LogP13.42
Rot. Bonds3

About 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran

6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran (PubChem CID 155426393) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran.

Molecular Properties

Compound Name6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
PubChem CID155426393
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran
SMILESC1=CC2Oc3c(-c4cc5c(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cccc5c5ccccc45)cccc3C2C=C1
InChIInChI=1S/C50H32O/c1-2-16-32-31(14-1)15-11-25-37(32)48-38-20-5-7-22-40(38)49(41-23-8-6-21-39(41)48)42-26-12-24-35-33-17-3-4-18-34(33)46(30-45(35)42)44-28-13-27-43-36-19-9-10-29-47(36)51-50(43)44/h1-30,36,47H
InChIKeyXVLGXBBXGFGGPL-UHFFFAOYSA-N
XLogP13.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-(10-naphthalen-1-ylanthracen-9-yl)-6-(2-phenylphenyl)-4a,9b-dihydrodibenzofuran
CID 165170050
8-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-4a,9b-dihydrodibenzofuran
CID 164841424
3-oxahexacyclo[10.10.1.02,10.04,9.013,18.019,23]tricosa-1(23),2(10),5,7,11,13,15,17,19,21-decaene
CID 10756209
3-(5a,9a-dihydrodibenzofuran-4-yl)-9H-carbazole
CID 66828393
6-(2-ethylphenyl)-7-methyl-8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-4a,9b-dihydrodibenzofuran
CID 88995543
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,15,17-octaene
CID 88994634
2-[4-(5a,9a-dihydrodibenzofuran-4-yl)naphthalen-1-yl]-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine;8-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]pyrimidin-2-yl]naphthalen-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 159698272
9,9-dimethyl-6-[6-(10-naphthalen-1-yl-2,3-dihydroanthracen-9-yl)naphthalen-2-yl]-23-oxahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20-decaene
CID 163527995
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyl-5a,9a-dihydrodibenzofuran-4-amine
CID 174280336
1,10-dinaphthalen-1-ylanthracene
CID 58645117
N-[4-[3-(5a,9a-dihydrodibenzofuran-3-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170133887
9-naphthalen-1-yl-10-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphthalen-1-yl]anthracene
CID 59861499

Frequently Asked Questions

What is the IUPAC name of 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran?
The IUPAC name of 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran (CID 155426393) is 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran.
What is the SMILES notation for 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran?
The canonical SMILES for 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran is C1=CC2Oc3c(-c4cc5c(-c6c7ccccc7c(-c7cccc8ccccc78)c7ccccc67)cccc5c5ccccc45)cccc3C2C=C1.
What is the InChIKey of 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran?
The InChIKey is XVLGXBBXGFGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-2-16-32-31(14-1)15-11-25-37(32)48-38-20-5-7-22-40(38)49(41-23-8-6-21-39(41)48)42-26-12-24-35-33-17-3-4-18-34(33)46(30-45(35)42)44-28-13-27-43-36-19-9-10-29-47(36)51-50(43)44/h1-30,36,47H.
What are the key properties of 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran?
6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran has a molecular weight of 648.81 g/mol, XLogP of 13.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(10-naphthalen-1-ylanthracen-9-yl)phenanthren-9-yl]-4a,9b-dihydrodibenzofuran is sourced from PubChem (CID 155426393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).