11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran

C80H46O2 — CID 155334176

IUPAC11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(-c3cccc4c(-c5c6cccc(-c7cccc8oc9ccc%10ccccc%10c9c78)c6cc6c(-c7cccc8oc9ccc%10ccccc%10c9c78)cccc56)c5cccc(-c6cccc7ccccc67)c5cc34)cccc2c1
InChIInChI=1S/C80H46O2/c1-5-23-51-47(17-1)21-9-27-55(51)57-29-11-33-63-67(57)45-68-58(56-28-10-22-48-18-2-6-24-52(48)56)30-12-34-64(68)75(63)76-65-35-13-31-59(61-37-15-39-71-79(61)77-53-25-7-3-19-49(53)41-43-73(77)81-71)69(65)46-70-60(32-14-36-66(70)76)62-38-16-40-72-80(62)78-54-26-8-4-20-50(54)42-44-74(78)82-72/h1-46H
InChIKeyUZCLBNHAWCYIGW-UHFFFAOYSA-N
MW1039.25 g/mol
LogP23.05
Rot. Bonds5

About 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran

11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran (PubChem CID 155334176) has the molecular formula C80H46O2 and a molecular weight of 1039.25 g/mol. Its IUPAC name is 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran.

Molecular Properties

Compound Name11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
PubChem CID155334176
Molecular FormulaC80H46O2
Molecular Weight1039.25 g/mol
Exact Mass1038.35
IUPAC Name11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
SMILESc1ccc2c(-c3cccc4c(-c5c6cccc(-c7cccc8oc9ccc%10ccccc%10c9c78)c6cc6c(-c7cccc8oc9ccc%10ccccc%10c9c78)cccc56)c5cccc(-c6cccc7ccccc67)c5cc34)cccc2c1
InChIInChI=1S/C80H46O2/c1-5-23-51-47(17-1)21-9-27-55(51)57-29-11-33-63-67(57)45-68-58(56-28-10-22-48-18-2-6-24-52(48)56)30-12-34-64(68)75(63)76-65-35-13-31-59(61-37-15-39-71-79(61)77-53-25-7-3-19-49(53)41-43-73(77)81-71)69(65)46-70-60(32-14-36-66(70)76)62-38-16-40-72-80(62)78-54-26-8-4-20-50(54)42-44-74(78)82-72/h1-46H
InChIKeyUZCLBNHAWCYIGW-UHFFFAOYSA-N
XLogP23.05
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.25
LogP ≤ 523.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-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

11-anthracen-9-ylnaphtho[2,1-b][1]benzofuran
CID 170209534
11-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 155201324
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
4,20-dinaphthalen-1-yl-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene
CID 58461828
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
6-[8-naphtho[2,1-b][1]benzofuran-6-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;8-[8-naphtho[2,1-b][1]benzofuran-8-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran;11-[8-naphtho[2,1-b][1]benzofuran-11-yl-10-(4-phenylphenyl)anthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 161462029
11-[3-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155201319
11-[10-[4-(2-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 174273057
11-(10-naphthalen-1-yl-8-naphtho[3,2-b][1]benzofuran-11-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 155334130
4-(10-phenanthren-4-ylanthracen-9-yl)-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265069
1-[10-(9,9-diphenylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 158916579
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-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 134487541

Frequently Asked Questions

What is the IUPAC name of 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
The IUPAC name of 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran (CID 155334176) is 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran.
What is the SMILES notation for 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
The canonical SMILES for 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran is c1ccc2c(-c3cccc4c(-c5c6cccc(-c7cccc8oc9ccc%10ccccc%10c9c78)c6cc6c(-c7cccc8oc9ccc%10ccccc%10c9c78)cccc56)c5cccc(-c6cccc7ccccc67)c5cc34)cccc2c1.
What is the InChIKey of 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
The InChIKey is UZCLBNHAWCYIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H46O2/c1-5-23-51-47(17-1)21-9-27-55(51)57-29-11-33-63-67(57)45-68-58(56-28-10-22-48-18-2-6-24-52(48)56)30-12-34-64(68)75(63)76-65-35-13-31-59(61-37-15-39-71-79(61)77-53-25-7-3-19-49(53)41-43-73(77)81-71)69(65)46-70-60(32-14-36-66(70)76)62-38-16-40-72-80(62)78-54-26-8-4-20-50(54)42-44-74(78)82-72/h1-46H.
What are the key properties of 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran?
11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran has a molecular weight of 1039.25 g/mol, XLogP of 23.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-naphtho[2,1-b][1]benzofuran-11-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 155334176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).