4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran

C50H30O — CID 58323221

IUPAC4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3ccc4c(-c5cccc6c5oc5ccccc56)c5ccccc5c(-c5cc6ccccc6c6ccccc56)c4c3)cccc2c1
InChIInChI=1S/C50H30O/c1-3-16-34-31(13-1)15-11-23-35(34)33-27-28-42-46(30-33)49(45-29-32-14-2-4-17-36(32)37-18-5-6-19-38(37)45)41-22-8-7-21-40(41)48(42)44-25-12-24-43-39-20-9-10-26-47(39)51-50(43)44/h1-30H
InChIKeyMKVZYISGGLRWON-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.35
Rot. Bonds3

About 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran

4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran (PubChem CID 58323221) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
PubChem CID58323221
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
SMILESc1ccc2c(-c3ccc4c(-c5cccc6c5oc5ccccc56)c5ccccc5c(-c5cc6ccccc6c6ccccc56)c4c3)cccc2c1
InChIInChI=1S/C50H30O/c1-3-16-34-31(13-1)15-11-23-35(34)33-27-28-42-46(30-33)49(45-29-32-14-2-4-17-36(32)37-18-5-6-19-38(37)45)41-22-8-7-21-40(41)48(42)44-25-12-24-43-39-20-9-10-26-47(39)51-50(43)44/h1-30H
InChIKeyMKVZYISGGLRWON-UHFFFAOYSA-N
XLogP14.35
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

3-[3-(10-dibenzofuran-4-yl-9-phenanthren-9-ylanthracen-2-yl)-10-phenanthren-9-ylanthracen-9-yl]dibenzofuran
CID 155334308
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
2-(2,10-dinaphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58322991
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 58194573
9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran
CID 165012926
4-(10-dibenzofuran-4-yl-2-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-2-yl-2-phenylanthracene;2-(2-phenyl-10-triphenylen-2-ylanthracen-9-yl)triphenylene
CID 158427881
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426934
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9,10-bis(3-phenylphenyl)anthracene;9,10-bis(4-phenylphenyl)anthracene;2-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran;9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-di(phenanthren-9-yl)anthracene
CID 159984681
1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;4-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 157264564
1-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;3-(10-phenanthren-9-ylanthracen-9-yl)dibenzofuran;1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;2-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 164951971

Frequently Asked Questions

What is the IUPAC name of 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?
The IUPAC name of 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran (CID 58323221) is 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran is c1ccc2c(-c3ccc4c(-c5cccc6c5oc5ccccc56)c5ccccc5c(-c5cc6ccccc6c6ccccc56)c4c3)cccc2c1.
What is the InChIKey of 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?
The InChIKey is MKVZYISGGLRWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-3-16-34-31(13-1)15-11-23-35(34)33-27-28-42-46(30-33)49(45-29-32-14-2-4-17-36(32)37-18-5-6-19-38(37)45)41-22-8-7-21-40(41)48(42)44-25-12-24-43-39-20-9-10-26-47(39)51-50(43)44/h1-30H.
What are the key properties of 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran?
4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran has a molecular weight of 646.79 g/mol, XLogP of 14.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 58323221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).