2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran

C50H30O — CID 58194354

IUPAC2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-2-11-33-28-37(20-17-31(33)9-1)49-41-13-5-7-15-43(41)50(44-16-8-6-14-42(44)49)38-23-26-48-46(30-38)45-29-35(22-25-47(45)51-48)34-21-24-40-36(27-34)19-18-32-10-3-4-12-39(32)40/h1-30H
InChIKeyBBKSSSCUEPLBRI-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.35
Rot. Bonds3

About 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran

2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran (PubChem CID 58194354) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran.

Molecular Properties

Compound Name2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
PubChem CID58194354
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6c5c4)c4ccccc34)ccc2c1
InChIInChI=1S/C50H30O/c1-2-11-33-28-37(20-17-31(33)9-1)49-41-13-5-7-15-43(41)50(44-16-8-6-14-42(44)49)38-23-26-48-46(30-38)45-29-35(22-25-47(45)51-48)34-21-24-40-36(27-34)19-18-32-10-3-4-12-39(32)40/h1-30H
InChIKeyBBKSSSCUEPLBRI-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

2-(2-naphthalen-2-yl-10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 118402714
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-1-yldibenzofuran
CID 58194464
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
2-(10-naphthalen-2-yl-3-phenylanthracen-9-yl)benzo[e][1]benzofuran
CID 174307066
10-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 154595990
9-naphthalen-2-yl-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenanthren-2-ylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenanthren-2-ylphenyl)anthracene;2-[3-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran;2-[4-[10-(3-phenanthren-3-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 158302263
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
7-(9,10-dinaphthalen-2-ylanthracen-2-yl)-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 88568993
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
7-naphthalen-2-yl-2-(10-phenylanthracen-9-yl)dibenzofuran;2-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;7-phenyl-2-(10-phenylanthracen-9-yl)dibenzofuran
CID 164972218
2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58194595
3-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphtho[2,3-b][1]benzofuran
CID 88569060

Frequently Asked Questions

What is the IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran?
The IUPAC name of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran (CID 58194354) is 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran.
What is the SMILES notation for 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran?
The canonical SMILES for 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran is c1ccc2cc(-c3c4ccccc4c(-c4ccc5oc6ccc(-c7ccc8c(ccc9ccccc98)c7)cc6c5c4)c4ccccc34)ccc2c1.
What is the InChIKey of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran?
The InChIKey is BBKSSSCUEPLBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-2-11-33-28-37(20-17-31(33)9-1)49-41-13-5-7-15-43(41)50(44-16-8-6-14-42(44)49)38-23-26-48-46(30-38)45-29-35(22-25-47(45)51-48)34-21-24-40-36(27-34)19-18-32-10-3-4-12-39(32)40/h1-30H.
What are the key properties of 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran?
2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran 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 2-(10-naphthalen-2-ylanthracen-9-yl)-8-phenanthren-2-yldibenzofuran is sourced from PubChem (CID 58194354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).