7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran

C40H24O — CID 177072224

IUPAC7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc4cc23)cc1
InChIInChI=1S/C40H24O/c1-2-10-25(11-3-1)28-16-8-17-31-32(28)22-23-33-36(31)24-27-13-5-6-14-29(27)38(33)34-18-9-19-37-39(34)35-21-20-26-12-4-7-15-30(26)40(35)41-37/h1-24H
InChIKeyQOKWFEBHBSDSRM-UHFFFAOYSA-N
MW520.63 g/mol
LogP11.53
Rot. Bonds2

About 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran

7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 177072224) has the molecular formula C40H24O and a molecular weight of 520.63 g/mol. Its IUPAC name is 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
PubChem CID177072224
Molecular FormulaC40H24O
Molecular Weight520.63 g/mol
Exact Mass520.18
IUPAC Name7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc(-c2cccc3c2ccc2c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc4cc23)cc1
InChIInChI=1S/C40H24O/c1-2-10-25(11-3-1)28-16-8-17-31-32(28)22-23-33-36(31)24-27-13-5-6-14-29(27)38(33)34-18-9-19-37-39(34)35-21-20-26-12-4-7-15-30(26)40(35)41-37/h1-24H
InChIKeyQOKWFEBHBSDSRM-UHFFFAOYSA-N
XLogP11.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 511.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834
7-[9-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[1,2-b][1]benzofuran
CID 170249935
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
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
9-naphtho[1,2-b][1]benzofuran-7-yl-10-(3-phenanthren-1-ylphenyl)anthracene-1,2,3,4,5,6,7,8-octol
CID 163959829
7-(10-phenylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 166831977
7-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphtho[1,2-b][1]benzofuran
CID 138664816
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-4-phenylaniline
CID 170272469
2-(10-naphtho[1,2-b][1]benzofuran-7-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 155205856
7-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 153473853

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran (CID 177072224) is 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran is c1ccc(-c2cccc3c2ccc2c(-c4cccc5oc6c7ccccc7ccc6c45)c4ccccc4cc23)cc1.
What is the InChIKey of 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is QOKWFEBHBSDSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O/c1-2-10-25(11-3-1)28-16-8-17-31-32(28)22-23-33-36(31)24-27-13-5-6-14-29(27)38(33)34-18-9-19-37-39(34)35-21-20-26-12-4-7-15-30(26)40(35)41-37/h1-24H.
What are the key properties of 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran?
7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran has a molecular weight of 520.63 g/mol, XLogP of 11.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylbenzo[a]anthracen-7-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 177072224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).