4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine

C43H31NO — CID 58273596

IUPAC4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine
SMILESCC(C)(C)c1cc2ccc3c(-c4ccncc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(c1)c2c34
InChIInChI=1S/C43H31NO/c1-43(2,3)31-23-29-15-17-34-37(25-38(28-19-21-44-22-20-28)35-18-16-30(24-31)40(29)41(34)35)27-13-11-26(12-14-27)32-8-6-9-36-33-7-4-5-10-39(33)45-42(32)36/h4-25H,1-3H3
InChIKeyFROYUBVDSCKLTN-UHFFFAOYSA-N
MW577.73 g/mol
LogP12.18
Rot. Bonds3

About 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine

4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine (PubChem CID 58273596) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine.

Molecular Properties

Compound Name4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine
PubChem CID58273596
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC Name4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine
SMILESCC(C)(C)c1cc2ccc3c(-c4ccncc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(c1)c2c34
InChIInChI=1S/C43H31NO/c1-43(2,3)31-23-29-15-17-34-37(25-38(28-19-21-44-22-20-28)35-18-16-30(24-31)40(29)41(34)35)27-13-11-26(12-14-27)32-8-6-9-36-33-7-4-5-10-39(33)45-42(32)36/h4-25H,1-3H3
InChIKeyFROYUBVDSCKLTN-UHFFFAOYSA-N
XLogP12.18
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]dibenzofuran
CID 58273508
2-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]-6-[6-[4-(7-tert-butyl-3-dibenzofuran-3-ylpyren-1-yl)phenyl]dibenzofuran-3-yl]dibenzofuran
CID 163701429
4-[7-tert-butyl-3-(4-phenylphenyl)pyren-1-yl]dibenzofuran;ethane
CID 145470011
2-[7-tert-butyl-3-(4-dibenzofuran-3-ylphenyl)pyren-1-yl]dibenzofuran;3-[7-tert-butyl-3-(4-dibenzofuran-3-ylphenyl)pyren-1-yl]dibenzofuran;3-[4-(7-tert-butyl-3-dibenzofuran-4-ylpyren-1-yl)phenyl]dibenzofuran
CID 159336020
7-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-3-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-7-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N-phenylpyren-1-amine
CID 162121017
3-(7-tert-butyl-3-dibenzofuran-4-ylpyren-1-yl)-1-methylquinolin-1-ium
CID 145470019
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
2-(7-tert-butylpyren-1-yl)-6-[8-(7-tert-butylpyren-1-yl)dibenzofuran-2-yl]dibenzofuran
CID 58556362
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
7-tert-butyl-1-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]-3-phenylpyrene
CID 176846435
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983

Frequently Asked Questions

What is the IUPAC name of 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine?
The IUPAC name of 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine (CID 58273596) is 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine.
What is the SMILES notation for 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine?
The canonical SMILES for 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine is CC(C)(C)c1cc2ccc3c(-c4ccncc4)cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc(c1)c2c34.
What is the InChIKey of 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine?
The InChIKey is FROYUBVDSCKLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2,3)31-23-29-15-17-34-37(25-38(28-19-21-44-22-20-28)35-18-16-30(24-31)40(29)41(34)35)27-13-11-26(12-14-27)32-8-6-9-36-33-7-4-5-10-39(33)45-42(32)36/h4-25H,1-3H3.
What are the key properties of 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine?
4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine has a molecular weight of 577.73 g/mol, XLogP of 12.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine is sourced from PubChem (CID 58273596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).