6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran

C54H32O2 — CID 176743914

IUPAC6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc35)cc24)cc1
InChIInChI=1S/C54H32O2/c1-3-15-33(16-4-1)52-47-32-49-45(31-50(47)56-54(52)34-17-5-2-6-18-34)44-30-36(27-28-48(44)55-49)51-40-23-11-13-25-42(40)53(43-26-14-12-24-41(43)51)46-29-35-19-7-8-20-37(35)38-21-9-10-22-39(38)46/h1-32H
InChIKeyUQPWLMGYPCKCKN-UHFFFAOYSA-N
MW712.85 g/mol
LogP15.61
Rot. Bonds4

About 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran

6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran (PubChem CID 176743914) has the molecular formula C54H32O2 and a molecular weight of 712.85 g/mol. Its IUPAC name is 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran.

Molecular Properties

Compound Name6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
PubChem CID176743914
Molecular FormulaC54H32O2
Molecular Weight712.85 g/mol
Exact Mass712.24
IUPAC Name6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc35)cc24)cc1
InChIInChI=1S/C54H32O2/c1-3-15-33(16-4-1)52-47-32-49-45(31-50(47)56-54(52)34-17-5-2-6-18-34)44-30-36(27-28-48(44)55-49)51-40-23-11-13-25-42(40)53(43-26-14-12-24-41(43)51)46-29-35-19-7-8-20-37(35)38-21-9-10-22-39(38)46/h1-32H
InChIKeyUQPWLMGYPCKCKN-UHFFFAOYSA-N
XLogP15.61
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(10-phenanthren-9-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744193
6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
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
21-phenanthren-9-yl-14-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 130208112
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744536
2-(10-phenanthren-9-yl-2-phenylanthracen-9-yl)dibenzofuran
CID 58323704
19-(10-phenylanthracen-9-yl)-23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene
CID 146460952
CID 165025337
CID 165025337
2-[4-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 146652076
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-[10-(3-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 163616653

Frequently Asked Questions

What is the IUPAC name of 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
The IUPAC name of 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran (CID 176743914) is 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran.
What is the SMILES notation for 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
The canonical SMILES for 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran is c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)oc2ccc(-c3c5ccccc5c(-c5cc6ccccc6c6ccccc56)c5ccccc35)cc24)cc1.
What is the InChIKey of 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
The InChIKey is UQPWLMGYPCKCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O2/c1-3-15-33(16-4-1)52-47-32-49-45(31-50(47)56-54(52)34-17-5-2-6-18-34)44-30-36(27-28-48(44)55-49)51-40-23-11-13-25-42(40)53(43-26-14-12-24-41(43)51)46-29-35-19-7-8-20-37(35)38-21-9-10-22-39(38)46/h1-32H.
What are the key properties of 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran?
6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran has a molecular weight of 712.85 g/mol, XLogP of 15.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran is sourced from PubChem (CID 176743914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).