4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran

C46H32O2 — CID 144568505

IUPAC4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
SMILESCC(C)(C)c1ccc2c3cc(-c4cccc5c4oc4ccccc45)ccc3c3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1
InChIInChI=1S/C46H32O2/c1-46(2,3)29-20-23-34-39-24-27(30-12-8-14-37-35-10-4-6-16-42(35)47-44(30)37)18-21-32(39)33-22-19-28(25-40(33)41(34)26-29)31-13-9-15-38-36-11-5-7-17-43(36)48-45(31)38/h4-26H,1-3H3
InChIKeyDQSFQMOKRJVUJV-UHFFFAOYSA-N
MW616.76 g/mol
LogP13.58
Rot. Bonds2

About 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran

4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran (PubChem CID 144568505) has the molecular formula C46H32O2 and a molecular weight of 616.76 g/mol. Its IUPAC name is 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran.

Molecular Properties

Compound Name4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
PubChem CID144568505
Molecular FormulaC46H32O2
Molecular Weight616.76 g/mol
Exact Mass616.24
IUPAC Name4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
SMILESCC(C)(C)c1ccc2c3cc(-c4cccc5c4oc4ccccc45)ccc3c3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1
InChIInChI=1S/C46H32O2/c1-46(2,3)29-20-23-34-39-24-27(30-12-8-14-37-35-10-4-6-16-42(35)47-44(30)37)18-21-32(39)33-22-19-28(25-40(33)41(34)26-29)31-13-9-15-38-36-11-5-7-17-43(36)48-45(31)38/h4-26H,1-3H3
InChIKeyDQSFQMOKRJVUJV-UHFFFAOYSA-N
XLogP13.58
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.76
LogP ≤ 513.58
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-[9-(4-tert-butylphenyl)-10-dibenzofuran-4-ylanthracen-2-yl]dibenzofuran
CID 58991734
4-(11-dibenzofuran-4-yl-6,7-dimethyltriphenylen-2-yl)dibenzofuran
CID 144568493
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
2-(6-tert-butyl-11-dibenzofuran-2-yltriphenylen-2-yl)dibenzofuran
CID 144568487
6,11-ditert-butyl-3-[3,5-di(dibenzofuran-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475703
4-[3-[6-(4-tert-butylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273611
4-(9-phenanthren-2-ylchrysen-3-yl)dibenzofuran
CID 118520836
8-tert-butyl-4-dibenzofuran-4-ylbenzo[f]isoquinoline
CID 118566739
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
7-dibenzofuran-4-yl-N,N-diphenyltriphenylen-2-amine
CID 88884869
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
5-(9,9-dimethyl-7-triphenylen-2-ylfluoren-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 163474399

Frequently Asked Questions

What is the IUPAC name of 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran?
The IUPAC name of 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran (CID 144568505) is 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran.
What is the SMILES notation for 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran?
The canonical SMILES for 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran is CC(C)(C)c1ccc2c3cc(-c4cccc5c4oc4ccccc45)ccc3c3ccc(-c4cccc5c4oc4ccccc45)cc3c2c1.
What is the InChIKey of 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran?
The InChIKey is DQSFQMOKRJVUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32O2/c1-46(2,3)29-20-23-34-39-24-27(30-12-8-14-37-35-10-4-6-16-42(35)47-44(30)37)18-21-32(39)33-22-19-28(25-40(33)41(34)26-29)31-13-9-15-38-36-11-5-7-17-43(36)48-45(31)38/h4-26H,1-3H3.
What are the key properties of 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran?
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran has a molecular weight of 616.76 g/mol, XLogP of 13.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran is sourced from PubChem (CID 144568505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).