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

C42H26O — CID 86667299

IUPAC6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5c4oc4ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-13-27(14-3-1)39-32-19-6-8-21-34(32)40(35-22-9-7-20-33(35)39)30-17-12-16-28(25-30)37-26-29-15-4-5-18-31(29)41-36-23-10-11-24-38(36)43-42(37)41/h1-26H
InChIKeyYQRFNVWIHAHJTQ-UHFFFAOYSA-N
MW546.67 g/mol
LogP12.05
Rot. Bonds3

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

6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran (PubChem CID 86667299) has the molecular formula C42H26O and a molecular weight of 546.67 g/mol. Its IUPAC name is 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
PubChem CID86667299
Molecular FormulaC42H26O
Molecular Weight546.67 g/mol
Exact Mass546.20
IUPAC Name6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5c4oc4ccccc45)c3)c3ccccc23)cc1
InChIInChI=1S/C42H26O/c1-2-13-27(14-3-1)39-32-19-6-8-21-34(32)40(35-22-9-7-20-33(35)39)30-17-12-16-28(25-30)37-26-29-15-4-5-18-31(29)41-36-23-10-11-24-38(36)43-42(37)41/h1-26H
InChIKeyYQRFNVWIHAHJTQ-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 512.05
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-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
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-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88569932
6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 123620919
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
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 130190182
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
10-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 130188801
(3-naphtho[2,1-b][1]benzofuran-6-ylphenyl)boronic acid;prop-1-ene
CID 144619381
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
11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,24-dioxahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1,3,5,7,10,12,14(23),15,17,19,21-undecaene
CID 90209334

Frequently Asked Questions

What is the IUPAC name of 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran (CID 86667299) is 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran is c1ccc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5c4oc4ccccc45)c3)c3ccccc23)cc1.
What is the InChIKey of 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran?
The InChIKey is YQRFNVWIHAHJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O/c1-2-13-27(14-3-1)39-32-19-6-8-21-34(32)40(35-22-9-7-20-33(35)39)30-17-12-16-28(25-30)37-26-29-15-4-5-18-31(29)41-36-23-10-11-24-38(36)43-42(37)41/h1-26H.
What are the key properties of 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran?
6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran has a molecular weight of 546.67 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 86667299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).