4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran

C50H30O — CID 174253549

IUPAC4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran
SMILESc1ccc(-c2ccc3cc(-c4cc5ccc6cc(-c7cccc8c7oc7c(-c9ccccc9)cccc78)cc7ccc(c4)c5c67)ccc3c2)cc1
InChIInChI=1S/C50H30O/c1-3-9-31(10-4-1)33-17-18-35-26-36(20-19-34(35)25-33)41-27-37-21-23-39-29-42(30-40-24-22-38(28-41)47(37)48(39)40)44-14-8-16-46-45-15-7-13-43(49(45)51-50(44)46)32-11-5-2-6-12-32/h1-30H
InChIKeyAPUQGHMETWXFFB-UHFFFAOYSA-N
MW646.79 g/mol
LogP14.30
Rot. Bonds4

About 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran

4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran (PubChem CID 174253549) has the molecular formula C50H30O and a molecular weight of 646.79 g/mol. Its IUPAC name is 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran.

Molecular Properties

Compound Name4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran
PubChem CID174253549
Molecular FormulaC50H30O
Molecular Weight646.79 g/mol
Exact Mass646.23
IUPAC Name4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran
SMILESc1ccc(-c2ccc3cc(-c4cc5ccc6cc(-c7cccc8c7oc7c(-c9ccccc9)cccc78)cc7ccc(c4)c5c67)ccc3c2)cc1
InChIInChI=1S/C50H30O/c1-3-9-31(10-4-1)33-17-18-35-26-36(20-19-34(35)25-33)41-27-37-21-23-39-29-42(30-40-24-22-38(28-41)47(37)48(39)40)44-14-8-16-46-45-15-7-13-43(49(45)51-50(44)46)32-11-5-2-6-12-32/h1-30H
InChIKeyAPUQGHMETWXFFB-UHFFFAOYSA-N
XLogP14.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.79
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 167236501
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-5-[6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118650966
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
2,6-diphenyl-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171761157
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167403415
15-[4-(6-phenyldibenzofuran-4-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaene
CID 177299157
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
2-phenyl-4-(3-phenylphenyl)-6-[4-[6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 177144922
N,3,5-triphenyl-N-[4-(18-phenyl-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16(21),17,19-decaen-5-yl)phenyl]aniline
CID 130466802
2-naphthalen-2-yl-5-[3-(6-naphthalen-2-yl-3-pyridinyl)-5-(6-phenyldibenzofuran-4-yl)phenyl]pyridine
CID 171760945
N-(4-naphthalen-2-ylphenyl)-2,6-diphenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 168772002

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran?
The IUPAC name of 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran (CID 174253549) is 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran.
What is the SMILES notation for 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran?
The canonical SMILES for 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran is c1ccc(-c2ccc3cc(-c4cc5ccc6cc(-c7cccc8c7oc7c(-c9ccccc9)cccc78)cc7ccc(c4)c5c67)ccc3c2)cc1.
What is the InChIKey of 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran?
The InChIKey is APUQGHMETWXFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O/c1-3-9-31(10-4-1)33-17-18-35-26-36(20-19-34(35)25-33)41-27-37-21-23-39-29-42(30-40-24-22-38(28-41)47(37)48(39)40)44-14-8-16-46-45-15-7-13-43(49(45)51-50(44)46)32-11-5-2-6-12-32/h1-30H.
What are the key properties of 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran?
4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran has a molecular weight of 646.79 g/mol, XLogP of 14.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[7-(6-phenylnaphthalen-2-yl)pyren-2-yl]dibenzofuran is sourced from PubChem (CID 174253549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).