10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran

C46H28O — CID 166587818

IUPAC10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C46H28O/c1-2-13-31(14-3-1)44-37-18-8-9-19-38(37)45(40-27-32(21-24-39(40)44)35-20-10-15-29-11-4-6-16-34(29)35)33-23-25-42-41(28-33)46-36-17-7-5-12-30(36)22-26-43(46)47-42/h1-28H
InChIKeyMQLWSALSULOPDK-UHFFFAOYSA-N
MW596.73 g/mol
LogP13.20
Rot. Bonds3

About 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran

10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (PubChem CID 166587818) has the molecular formula C46H28O and a molecular weight of 596.73 g/mol. Its IUPAC name is 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
PubChem CID166587818
Molecular FormulaC46H28O
Molecular Weight596.73 g/mol
Exact Mass596.21
IUPAC Name10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C46H28O/c1-2-13-31(14-3-1)44-37-18-8-9-19-38(37)45(40-27-32(21-24-39(40)44)35-20-10-15-29-11-4-6-16-34(29)35)33-23-25-42-41(28-33)46-36-17-7-5-12-30(36)22-26-43(46)47-42/h1-28H
InChIKeyMQLWSALSULOPDK-UHFFFAOYSA-N
XLogP13.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 513.20
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-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)-18-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 163772401
10-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran;10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 163827411
2-[6-dibenzofuran-2-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]dibenzofuran
CID 143914037
5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190220
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
2-naphthalen-1-yl-7-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)dibenzofuran
CID 168795775
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 146652374
5-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(23),15,17,19,21-undecaene
CID 130190167
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
2-[4-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58323246
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119

Frequently Asked Questions

What is the IUPAC name of 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
The IUPAC name of 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran (CID 166587818) is 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccc6ccccc6c5c4c3)c3cc(-c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
The InChIKey is MQLWSALSULOPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O/c1-2-13-31(14-3-1)44-37-18-8-9-19-38(37)45(40-27-32(21-24-39(40)44)35-20-10-15-29-11-4-6-16-34(29)35)33-23-25-42-41(28-33)46-36-17-7-5-12-30(36)22-26-43(46)47-42/h1-28H.
What are the key properties of 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran?
10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran has a molecular weight of 596.73 g/mol, XLogP of 13.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-naphthalen-1-yl-10-phenylanthracen-9-yl)naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 166587818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).