2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

C78H48O2 — CID 158628764

IUPAC2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C42H26O.C36H22O/c1-2-13-30-27(11-1)12-9-20-33(30)41-36-17-5-3-15-34(36)40(35-16-4-6-18-37(35)41)29-25-23-28(24-26-29)31-19-10-21-38-32-14-7-8-22-39(32)43-42(31)38;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h1-26H;1-22H
InChIKeyHYXSOGCGVAQFLQ-UHFFFAOYSA-N
MW1017.24 g/mol
LogP22.43
Rot. Bonds5

About 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran

2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (PubChem CID 158628764) has the molecular formula C78H48O2 and a molecular weight of 1017.24 g/mol. Its IUPAC name is 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
PubChem CID158628764
Molecular FormulaC78H48O2
Molecular Weight1017.24 g/mol
Exact Mass1016.37
IUPAC Name2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
SMILESc1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1
InChIInChI=1S/C42H26O.C36H22O/c1-2-13-30-27(11-1)12-9-20-33(30)41-36-17-5-3-15-34(36)40(35-16-4-6-18-37(35)41)29-25-23-28(24-26-29)31-19-10-21-38-32-14-7-8-22-39(32)43-42(31)38;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h1-26H;1-22H
InChIKeyHYXSOGCGVAQFLQ-UHFFFAOYSA-N
XLogP22.43
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.24
LogP ≤ 522.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 159891150
1-[5-(10-dibenzofuran-2-ylanthracen-9-yl)naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 166945536
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
1-[5-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]naphthalen-1-yl]-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 135216097
10-[10-(4-dibenzofuran-4-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 134487523
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
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-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;2-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158528042
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 161467576
2-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158349201
2-[2-[10-(2-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;bis(2-[2-[10-(2-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran);2-[2-[10-(3-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[2-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[3-[10-(2-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran
CID 157395044
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The IUPAC name of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran (CID 158628764) is 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran.
What is the SMILES notation for 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The canonical SMILES for 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cccc2c1.
What is the InChIKey of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
The InChIKey is HYXSOGCGVAQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26O.C36H22O/c1-2-13-30-27(11-1)12-9-20-33(30)41-36-17-5-3-15-34(36)40(35-16-4-6-18-37(35)41)29-25-23-28(24-26-29)31-19-10-21-38-32-14-7-8-22-39(32)43-42(31)38;1-2-12-25-23(10-1)11-9-18-27(25)36-30-16-5-3-14-28(30)35(29-15-4-6-17-31(29)36)24-20-21-34-32(22-24)26-13-7-8-19-33(26)37-34/h1-26H;1-22H.
What are the key properties of 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran?
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran has a molecular weight of 1017.24 g/mol, XLogP of 22.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran is sourced from PubChem (CID 158628764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).