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

C150H102O6 — CID 159336020

IUPAC2-[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
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4ccc5c(c4)oc4ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4ccc5oc6ccccc6c5c4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4cccc5c4oc4ccccc45)c4ccc(c1)c2c34
InChIInChI=1S/3C50H34O2/c1-50(2,3)34-25-32-20-23-38-42(30-17-15-29(16-18-30)31-19-22-37-35-9-4-6-13-44(35)51-46(37)27-31)28-43(39-24-21-33(26-34)47(32)48(38)39)41-12-8-11-40-36-10-5-7-14-45(36)52-49(40)41;1-50(2,3)35-24-33-17-21-39-41(30-14-12-29(13-15-30)31-16-20-38-36-8-4-6-10-44(36)52-47(38)27-31)28-42(40-22-18-34(25-35)48(33)49(39)40)32-19-23-46-43(26-32)37-9-5-7-11-45(37)51-46;1-50(2,3)35-24-33-18-22-40-42(30-14-12-29(13-15-30)31-16-20-38-36-8-4-6-10-44(36)51-46(38)26-31)28-43(41-23-19-34(25-35)48(33)49(40)41)32-17-21-39-37-9-5-7-11-45(37)52-47(39)27-32/h3*4-28H,1-3H3
InChIKeyLFNUIMCNPLPWHF-UHFFFAOYSA-N
MW2000.46 g/mol
LogP44.04
Rot. Bonds9

About 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

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 (PubChem CID 159336020) has the molecular formula C150H102O6 and a molecular weight of 2000.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159336020
Molecular FormulaC150H102O6
Molecular Weight2000.46 g/mol
Exact Mass1998.77
IUPAC Name2-[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
SMILESCC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4ccc5c(c4)oc4ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4ccc5oc6ccccc6c5c4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4cccc5c4oc4ccccc45)c4ccc(c1)c2c34
InChIInChI=1S/3C50H34O2/c1-50(2,3)34-25-32-20-23-38-42(30-17-15-29(16-18-30)31-19-22-37-35-9-4-6-13-44(35)51-46(37)27-31)28-43(39-24-21-33(26-34)47(32)48(38)39)41-12-8-11-40-36-10-5-7-14-45(36)52-49(40)41;1-50(2,3)35-24-33-17-21-39-41(30-14-12-29(13-15-30)31-16-20-38-36-8-4-6-10-44(36)52-47(38)27-31)28-42(40-22-18-34(25-35)48(33)49(39)40)32-19-23-46-43(26-32)37-9-5-7-11-45(37)51-46;1-50(2,3)35-24-33-18-22-40-42(30-14-12-29(13-15-30)31-16-20-38-36-8-4-6-10-44(36)51-46(38)26-31)28-43(41-23-19-34(25-35)48(33)49(40)41)32-17-21-39-37-9-5-7-11-45(37)52-47(39)27-32/h3*4-28H,1-3H3
InChIKeyLFNUIMCNPLPWHF-UHFFFAOYSA-N
XLogP44.04
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002000.46
LogP ≤ 544.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
4-[3-(7-tert-butyl-3-phenylpyren-1-yl)phenyl]dibenzofuran
CID 58273508
4-[7-tert-butyl-3-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine
CID 58273596
2-(7-tert-butylpyren-1-yl)-6-[8-(7-tert-butylpyren-1-yl)dibenzofuran-2-yl]dibenzofuran
CID 58556362
3-(7-tert-butyl-3-dibenzofuran-4-ylpyren-1-yl)-1-methylquinolin-1-ium
CID 145470019
2-[7-[4-(6-dibenzofuran-4-yl-8-naphthalen-1-ylpyren-1-yl)dibenzofuran-2-yl]pyren-1-yl]-8-(8-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 170104818
2-(7-tert-butylpyren-1-yl)-8-(8-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556266
5-(3,7-ditert-butylnaphthalen-1-yl)-3-(9-oxoxanthen-2-yl)xanthen-9-one
CID 69098410
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
2-pyren-1-yl-8-(6-pyren-1-yldibenzofuran-2-yl)dibenzofuran
CID 58556407
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4ccc5c(c4)oc4ccccc45)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4ccc5oc6ccccc6c5c4)c4ccc(c1)c2c34.CC(C)(C)c1cc2ccc3c(-c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)cc(-c4cccc5c4oc4ccccc45)c4ccc(c1)c2c34.
What is the InChIKey of 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?
The InChIKey is LFNUIMCNPLPWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/3C50H34O2/c1-50(2,3)34-25-32-20-23-38-42(30-17-15-29(16-18-30)31-19-22-37-35-9-4-6-13-44(35)51-46(37)27-31)28-43(39-24-21-33(26-34)47(32)48(38)39)41-12-8-11-40-36-10-5-7-14-45(36)52-49(40)41;1-50(2,3)35-24-33-17-21-39-41(30-14-12-29(13-15-30)31-16-20-38-36-8-4-6-10-44(36)52-47(38)27-31)28-42(40-22-18-34(25-35)48(33)49(39)40)32-19-23-46-43(26-32)37-9-5-7-11-45(37)51-46;1-50(2,3)35-24-33-18-22-40-42(30-14-12-29(13-15-30)31-16-20-38-36-8-4-6-10-44(36)51-46(38)26-31)28-43(41-23-19-34(25-35)48(33)49(40)41)32-17-21-39-37-9-5-7-11-45(37)52-47(39)27-32/h3*4-28H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2000.46 g/mol, XLogP of 44.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159336020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).