1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran

C44H28O — CID 155597210

IUPAC1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran
SMILESc1ccc(-c2oc3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H28O/c1-4-14-29(15-5-1)40-35-20-10-12-22-37(35)41(38-23-13-11-21-36(38)40)33-24-26-34-32(28-33)25-27-39-43(34)42(30-16-6-2-7-17-30)44(45-39)31-18-8-3-9-19-31/h1-28H
InChIKeyCBCACQHJXNIFTM-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran

1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran (PubChem CID 155597210) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran.

Molecular Properties

Compound Name1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran
PubChem CID155597210
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran
SMILESc1ccc(-c2oc3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H28O/c1-4-14-29(15-5-1)40-35-20-10-12-22-37(35)41(38-23-13-11-21-36(38)40)33-24-26-34-32(28-33)25-27-39-43(34)42(30-16-6-2-7-17-30)44(45-39)31-18-8-3-9-19-31/h1-28H
InChIKeyCBCACQHJXNIFTM-UHFFFAOYSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.56
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-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
9-[6-(10-phenylanthracen-9-yl)naphthalen-2-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 130188704
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 130213581
6,18-diphenyl-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 102362989
6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaene
CID 130213574
3-[10-(3-triphenylen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487705
8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264411
19-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-12,15-dioxahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene
CID 130190242
2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264292
6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743914
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
6-(10-naphthalen-2-ylanthracen-9-yl)-21-(10-phenylanthracen-9-yl)-3,24-dioxahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59182812

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran?
The IUPAC name of 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran (CID 155597210) is 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran.
What is the SMILES notation for 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran?
The canonical SMILES for 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran is c1ccc(-c2oc3ccc4cc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)ccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran?
The InChIKey is CBCACQHJXNIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-4-14-29(15-5-1)40-35-20-10-12-22-37(35)41(38-23-13-11-21-36(38)40)33-24-26-34-32(28-33)25-27-39-43(34)42(30-16-6-2-7-17-30)44(45-39)31-18-8-3-9-19-31/h1-28H.
What are the key properties of 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran?
1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran has a molecular weight of 572.71 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran is sourced from PubChem (CID 155597210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).