6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran

C48H30O — CID 88539783

IUPAC6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4)ccc23)cc1
InChIInChI=1S/C48H30O/c1-3-14-31(15-4-1)45-38-22-9-10-23-39(38)46(32-16-5-2-6-17-32)43-29-34(26-27-40(43)45)33-19-13-20-35(28-33)42-30-36-18-7-8-21-37(36)47-41-24-11-12-25-44(41)49-48(42)47/h1-30H
InChIKeyWTHBTUVMXUWUNO-UHFFFAOYSA-N
MW622.77 g/mol
LogP13.71
Rot. Bonds4

About 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran

6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 88539783) has the molecular formula C48H30O and a molecular weight of 622.77 g/mol. Its IUPAC name is 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID88539783
Molecular FormulaC48H30O
Molecular Weight622.77 g/mol
Exact Mass622.23
IUPAC Name6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4)ccc23)cc1
InChIInChI=1S/C48H30O/c1-3-14-31(15-4-1)45-38-22-9-10-23-39(38)46(32-16-5-2-6-17-32)43-29-34(26-27-40(43)45)33-19-13-20-35(28-33)42-30-36-18-7-8-21-37(36)47-41-24-11-12-25-44(41)49-48(42)47/h1-30H
InChIKeyWTHBTUVMXUWUNO-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 513.71
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

6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
6-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
6-[3-[9,10-bis(4-methylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-[9,10-bis(3-phenylphenyl)anthracen-2-yl]phenyl]naphtho[2,1-b][1]benzofuran;6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 159916056
22-[3-(10-phenylanthracen-9-yl)phenyl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185289
6-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[1,2-b][1]benzofuran
CID 129119407
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2-(2-methylpropyl)naphtho[2,1-b][1]benzofuran
CID 123603110
11-[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568977
6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 123620919
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
2-phenanthren-9-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 59002225
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylnaphthalen-2-yl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155335028

Frequently Asked Questions

What is the IUPAC name of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran (CID 88539783) is 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc(-c5cc6ccccc6c6c5oc5ccccc56)c4)ccc23)cc1.
What is the InChIKey of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is WTHBTUVMXUWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30O/c1-3-14-31(15-4-1)45-38-22-9-10-23-39(38)46(32-16-5-2-6-17-32)43-29-34(26-27-40(43)45)33-19-13-20-35(28-33)42-30-36-18-7-8-21-37(36)47-41-24-11-12-25-44(41)49-48(42)47/h1-30H.
What are the key properties of 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran?
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 622.77 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 88539783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).