5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran

C50H32O — CID 163943962

IUPAC5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2c(oc3c2cc(-c2ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c2)c2ccccc23)CC1
InChIInChI=1S/C50H32O/c1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44/h1-9,11-19,21-30H,10,20H2
InChIKeyRTLMPZDVUWMNRU-UHFFFAOYSA-N
MW648.81 g/mol
LogP14.16
Rot. Bonds3

About 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran

5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran (PubChem CID 163943962) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran
PubChem CID163943962
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran
SMILESC1=Cc2c(oc3c2cc(-c2ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c2)c2ccccc23)CC1
InChIInChI=1S/C50H32O/c1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44/h1-9,11-19,21-30H,10,20H2
InChIKeyRTLMPZDVUWMNRU-UHFFFAOYSA-N
XLogP14.16
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 88568889
6-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-3,4-dihydronaphtho[2,3-b][1]benzofuran
CID 166036350
16-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185466
7-(9,10-dinaphthalen-2-ylanthracen-2-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 88568993
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),18-octaene
CID 149414760
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
4-[4-(2,10-dinaphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323570
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
6-(10-naphthalen-2-ylanthracen-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 122426775
2-(2,10-dinaphthalen-2-ylanthracen-9-yl)triphenylene
CID 58322673
9-naphthalen-2-yl-10-phenyl-2-(4-phenylnaphthalen-1-yl)anthracene
CID 162702349
9-[10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487746

Frequently Asked Questions

What is the IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran (CID 163943962) is 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran is C1=Cc2c(oc3c2cc(-c2ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c2)c2ccccc23)CC1.
What is the InChIKey of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran?
The InChIKey is RTLMPZDVUWMNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-3-13-33-27-36(23-21-31(33)11-1)48-40-17-6-7-18-41(40)49(37-24-22-32-12-2-4-14-34(32)28-37)45-29-35(25-26-42(45)48)44-30-46-39-16-9-10-20-47(39)51-50(46)43-19-8-5-15-38(43)44/h1-9,11-19,21-30H,10,20H2.
What are the key properties of 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran?
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran has a molecular weight of 648.81 g/mol, XLogP of 14.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,10-dihydronaphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 163943962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).