2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran

C42H25BrO — CID 175622311

IUPAC2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESBrc1ccc2ccccc2c1-c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C42H25BrO/c43-37-23-21-26-9-1-2-10-30(26)42(37)28-19-17-27(18-20-28)40-32-12-3-5-14-34(32)41(35-15-6-4-13-33(35)40)29-22-24-39-36(25-29)31-11-7-8-16-38(31)44-39/h1-25H
InChIKeyPOUMIOSUVMBFQJ-UHFFFAOYSA-N
MW625.57 g/mol
LogP12.81
Rot. Bonds3

About 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran

2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran (PubChem CID 175622311) has the molecular formula C42H25BrO and a molecular weight of 625.57 g/mol. Its IUPAC name is 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran
PubChem CID175622311
Molecular FormulaC42H25BrO
Molecular Weight625.57 g/mol
Exact Mass624.11
IUPAC Name2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran
SMILESBrc1ccc2ccccc2c1-c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C42H25BrO/c43-37-23-21-26-9-1-2-10-30(26)42(37)28-19-17-27(18-20-28)40-32-12-3-5-14-34(32)41(35-15-6-4-13-33(35)40)29-22-24-39-36(25-29)31-11-7-8-16-38(31)44-39/h1-25H
InChIKeyPOUMIOSUVMBFQJ-UHFFFAOYSA-N
XLogP12.81
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.57
LogP ≤ 512.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[3-(10-phenanthren-3-ylanthracen-9-yl)phenyl]dibenzofuran
CID 58194595
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
6-(10-bromoanthracen-9-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654333
2-[2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]dibenzofuran
CID 174296945
7-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 130188835
2-[4-(10-dibenzofuran-3-ylanthracen-9-yl)phenyl]-7-(10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 174315687
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
9-(3-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene;2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165028790
2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536122
2-(2,3,6,7-tetradeuterio-10-naphthalen-2-ylanthracen-9-yl)dibenzofuran
CID 167406624

Frequently Asked Questions

What is the IUPAC name of 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran (CID 175622311) is 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran is Brc1ccc2ccccc2c1-c1ccc(-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran?
The InChIKey is POUMIOSUVMBFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25BrO/c43-37-23-21-26-9-1-2-10-30(26)42(37)28-19-17-27(18-20-28)40-32-12-3-5-14-34(32)41(35-15-6-4-13-33(35)40)29-22-24-39-36(25-29)31-11-7-8-16-38(31)44-39/h1-25H.
What are the key properties of 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran?
2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran has a molecular weight of 625.57 g/mol, XLogP of 12.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[4-(2-bromonaphthalen-1-yl)phenyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 175622311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).