7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran

C46H28O — CID 170653451

IUPAC7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
SMILES[2H]c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C46H28O/c1-3-17-33-29(12-1)14-10-24-36(33)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-16-9-15-31(28-32)34-23-11-25-42-45(34)41-27-26-30-13-2-4-18-35(30)46(41)47-42/h1-28H/i14D
InChIKeyLZQPRPRBVKKJCJ-FCFVPJCTSA-N
MW597.74 g/mol
LogP13.20
Rot. Bonds3

About 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran

7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran (PubChem CID 170653451) has the molecular formula C46H28O and a molecular weight of 597.74 g/mol. Its IUPAC name is 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
PubChem CID170653451
Molecular FormulaC46H28O
Molecular Weight597.74 g/mol
Exact Mass597.22
IUPAC Name7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
SMILES[2H]c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc23)c2ccccc12
InChIInChI=1S/C46H28O/c1-3-17-33-29(12-1)14-10-24-36(33)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-16-9-15-31(28-32)34-23-11-25-42-45(34)41-27-26-30-13-2-4-18-35(30)46(41)47-42/h1-28H/i14D
InChIKeyLZQPRPRBVKKJCJ-FCFVPJCTSA-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 ≤ 500597.74
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'}

Analyze 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran with MolForge

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Related Compounds

1-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 170653499
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 135208671
7-[7-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[1,2-b][1]benzofuran
CID 166501633
7-[10-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 170653986
7-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;7-[4-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzofuran;7-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 165076267
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 170249935
8-[2-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran
CID 174293136
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
7-[1,2,3,4,5,6,7,8-octadeuterio-10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473719
7-[10-(4-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 155205375
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;7-[1,2,3,4,5,6,7,8-octadeuterio-10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran;1-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzofuran;7-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159482867

Frequently Asked Questions

What is the IUPAC name of 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran (CID 170653451) is 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran is [2H]c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc5oc6c7ccccc7ccc6c45)c3)c3ccccc23)c2ccccc12.
What is the InChIKey of 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?
The InChIKey is LZQPRPRBVKKJCJ-FCFVPJCTSA-N. The full InChI is InChI=1S/C46H28O/c1-3-17-33-29(12-1)14-10-24-36(33)44-39-21-7-5-19-37(39)43(38-20-6-8-22-40(38)44)32-16-9-15-31(28-32)34-23-11-25-42-45(34)41-27-26-30-13-2-4-18-35(30)46(41)47-42/h1-28H/i14D.
What are the key properties of 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran?
7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran has a molecular weight of 597.74 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 7-[3-[10-(4-deuterionaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 170653451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).