5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

C40H24O — CID 88568856

IUPAC5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C40H24O/c1-2-14-26-25(12-1)13-11-22-29(26)38-30-17-4-6-19-32(30)39(33-20-7-5-18-31(33)38)35-24-36-28-16-9-10-23-37(28)41-40(36)34-21-8-3-15-27(34)35/h1-24H
InChIKeySCTXRAVRBIKXQK-UHFFFAOYSA-N
MW520.63 g/mol
LogP11.53
Rot. Bonds2

About 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran

5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (PubChem CID 88568856) has the molecular formula C40H24O and a molecular weight of 520.63 g/mol. Its IUPAC name is 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.

Molecular Properties

Compound Name5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
PubChem CID88568856
Molecular FormulaC40H24O
Molecular Weight520.63 g/mol
Exact Mass520.18
IUPAC Name5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)cccc2c1
InChIInChI=1S/C40H24O/c1-2-14-26-25(12-1)13-11-22-29(26)38-30-17-4-6-19-32(30)39(33-20-7-5-18-31(33)38)35-24-36-28-16-9-10-23-37(28)41-40(36)34-21-8-3-15-27(34)35/h1-24H
InChIKeySCTXRAVRBIKXQK-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'}

Analyze 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
11-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-9,15-dioxahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1,3,5,7,10,12,14(22),16,18,20,23-undecaene
CID 130213598
16-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,24-dioxahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 130185384
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159515776
4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 153436636
4-anthracen-9-yldibenzofuran
CID 167187282
5-[10-(4-phenanthren-9-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 134487627
8-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 90433778
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 88568839
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 158628764

Frequently Asked Questions

What is the IUPAC name of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The IUPAC name of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran (CID 88568856) is 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran.
What is the SMILES notation for 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The canonical SMILES for 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is c1ccc2c(-c3c4ccccc4c(-c4cc5c6ccccc6oc5c5ccccc45)c4ccccc34)cccc2c1.
What is the InChIKey of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
The InChIKey is SCTXRAVRBIKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24O/c1-2-14-26-25(12-1)13-11-22-29(26)38-30-17-4-6-19-32(30)39(33-20-7-5-18-31(33)38)35-24-36-28-16-9-10-23-37(28)41-40(36)34-21-8-3-15-27(34)35/h1-24H.
What are the key properties of 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran?
5-(10-naphthalen-1-ylanthracen-9-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 5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran is sourced from PubChem (CID 88568856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).