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

C50H30O — CID 58194573

IUPAC4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc12
InChIInChI=1S/C50H30O/c1-2-13-34-31(12-1)24-25-32-30-33(26-27-35(32)34)48-40-17-5-7-19-42(40)49(43-20-8-6-18-41(43)48)44-29-28-38(36-14-3-4-15-37(36)44)45-21-11-22-46-39-16-9-10-23-47(39)51-50(45)46/h1-30H
InChIKeyHNQINDQCOZZEPT-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.35
Rot. Bonds3

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

4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (PubChem CID 58194573) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
PubChem CID58194573
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc12
InChIInChI=1S/C50H30O/c1-2-13-34-31(12-1)24-25-32-30-33(26-27-35(32)34)48-40-17-5-7-19-42(40)49(43-20-8-6-18-41(43)48)44-29-28-38(36-14-3-4-15-37(36)44)45-21-11-22-46-39-16-9-10-23-47(39)51-50(45)46/h1-30H
InChIKeyHNQINDQCOZZEPT-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

9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenanthren-2-ylanthracene;2-[6-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran;4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran;9-phenanthren-2-yl-10-[4-(2-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(3-phenylphenyl)naphthalen-1-yl]anthracene;9-phenanthren-2-yl-10-[4-(4-phenylphenyl)naphthalen-1-yl]anthracene
CID 160952917
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzofuran
CID 122425870
7-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-12,16-dioxahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5(10),6,8,14,17,19,21,23-undecaene
CID 130185438
4-naphthalen-1-yl-3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 59413106
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 158958080
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-(3-naphthalen-1-yl-10-phenanthren-9-ylanthracen-9-yl)dibenzofuran
CID 58323221
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenanthren-9-yldibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-7-(6-phenylnaphthalen-2-yl)dibenzofuran
CID 158272088
4-[2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050626
6-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 163929828
4-[10-[6-(3-phenylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 164758444
4-[6-[4-[10-(6-naphthalen-1-yldibenzofuran-2-yl)anthracen-9-yl]phenyl]naphthalen-1-yl]-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 166928345

Frequently Asked Questions

What is the IUPAC name of 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The IUPAC name of 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (CID 58194573) is 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is c1ccc2c(c1)ccc1cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)c4ccccc34)ccc12.
What is the InChIKey of 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The InChIKey is HNQINDQCOZZEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-2-13-34-31(12-1)24-25-32-30-33(26-27-35(32)34)48-40-17-5-7-19-42(40)49(43-20-8-6-18-41(43)48)44-29-28-38(36-14-3-4-15-37(36)44)45-21-11-22-46-39-16-9-10-23-47(39)51-50(45)46/h1-30H.
What are the key properties of 4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
4-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-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-[4-(10-phenanthren-2-ylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 58194573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).