1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran

C52H32O — CID 170150566

IUPAC1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccc5c(-c6cccc7oc8c(-c9ccccc9)cccc8c67)ccc6ccc3c4c65)c2)cc1
InChIInChI=1S/C52H32O/c1-4-12-33(13-5-1)38-30-39(34-14-6-2-7-15-34)32-40(31-38)41-26-22-36-25-29-46-43(27-23-37-24-28-45(41)49(36)50(37)46)44-19-11-21-48-51(44)47-20-10-18-42(52(47)53-48)35-16-8-3-9-17-35/h1-32H
InChIKeyXBHJLMONDCMNNV-UHFFFAOYSA-N
MW672.83 g/mol
LogP14.82
Rot. Bonds5

About 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran

1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran (PubChem CID 170150566) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran.

Molecular Properties

Compound Name1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
PubChem CID170150566
Molecular FormulaC52H32O
Molecular Weight672.83 g/mol
Exact Mass672.25
IUPAC Name1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccc5c(-c6cccc7oc8c(-c9ccccc9)cccc8c67)ccc6ccc3c4c65)c2)cc1
InChIInChI=1S/C52H32O/c1-4-12-33(13-5-1)38-30-39(34-14-6-2-7-15-34)32-40(31-38)41-26-22-36-25-29-46-43(27-23-37-24-28-45(41)49(36)50(37)46)44-19-11-21-48-51(44)47-20-10-18-42(52(47)53-48)35-16-8-3-9-17-35/h1-32H
InChIKeyXBHJLMONDCMNNV-UHFFFAOYSA-N
XLogP14.82
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 514.82
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

1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
7-(6-phenylpyren-1-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171575655
9-(4-naphthalen-1-ylphenyl)-7-(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170940142
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
6-phenyl-3-[6-(6-phenyldibenzofuran-3-yl)pyren-1-yl]dibenzofuran
CID 176846437
4-(4-pyren-1-ylnaphthalen-1-yl)dibenzofuran;4-(6-pyren-1-ylnaphthalen-2-yl)dibenzofuran;4-[3-(4-pyren-1-ylphenyl)phenyl]dibenzofuran;4-[4-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 159155826
6-phenyl-2-(7-phenylpyren-1-yl)dibenzofuran
CID 170150572
4-[3-(3-pyren-1-ylphenyl)phenyl]dibenzofuran
CID 58273516
4-phenyl-7,10-bis(6-phenylpyren-1-yl)naphtho[1,2-b][1]benzofuran
CID 170939803
4-(4-naphthalen-1-ylphenyl)-1-(6-phenylpyren-1-yl)naphtho[2,3-b][1]benzofuran
CID 170939934
1,6-diphenyldibenzofuran
CID 145331756

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran?
The IUPAC name of 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran (CID 170150566) is 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran.
What is the SMILES notation for 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran?
The canonical SMILES for 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4ccc5c(-c6cccc7oc8c(-c9ccccc9)cccc8c67)ccc6ccc3c4c65)c2)cc1.
What is the InChIKey of 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran?
The InChIKey is XBHJLMONDCMNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-4-12-33(13-5-1)38-30-39(34-14-6-2-7-15-34)32-40(31-38)41-26-22-36-25-29-46-43(27-23-37-24-28-45(41)49(36)50(37)46)44-19-11-21-48-51(44)47-20-10-18-42(52(47)53-48)35-16-8-3-9-17-35/h1-32H.
What are the key properties of 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran?
1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-diphenylphenyl)pyren-1-yl]-6-phenyldibenzofuran is sourced from PubChem (CID 170150566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).