N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine

C47H33NO2 — CID 166775575

IUPACN-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine
SMILESCc1ccccc1-c1cc2ccccc2cc1-c1cc(C2=Cc3oc4ccccc4c3CC2)ccc1Nc1cccc2oc3ccccc3c12
InChIInChI=1S/C47H33NO2/c1-29-11-2-5-14-34(29)38-25-30-12-3-4-13-31(30)26-39(38)40-27-32(33-21-23-36-35-15-6-8-18-43(35)50-46(36)28-33)22-24-41(40)48-42-17-10-20-45-47(42)37-16-7-9-19-44(37)49-45/h2-20,22,24-28,48H,21,23H2,1H3
InChIKeyBBRKETVMOJNTAM-UHFFFAOYSA-N
MW643.79 g/mol
LogP13.36
Rot. Bonds5

About N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine

N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine (PubChem CID 166775575) has the molecular formula C47H33NO2 and a molecular weight of 643.79 g/mol. Its IUPAC name is N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine
PubChem CID166775575
Molecular FormulaC47H33NO2
Molecular Weight643.79 g/mol
Exact Mass643.25
IUPAC NameN-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine
SMILESCc1ccccc1-c1cc2ccccc2cc1-c1cc(C2=Cc3oc4ccccc4c3CC2)ccc1Nc1cccc2oc3ccccc3c12
InChIInChI=1S/C47H33NO2/c1-29-11-2-5-14-34(29)38-25-30-12-3-4-13-31(30)26-39(38)40-27-32(33-21-23-36-35-15-6-8-18-43(35)50-46(36)28-33)22-24-41(40)48-42-17-10-20-45-47(42)37-16-7-9-19-44(37)49-45/h2-20,22,24-28,48H,21,23H2,1H3
InChIKeyBBRKETVMOJNTAM-UHFFFAOYSA-N
XLogP13.36
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.79
LogP ≤ 513.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
2-dibenzofuran-1-yl-4-[6-(2-methylphenyl)naphthalen-2-yl]-6-naphthalen-2-yl-1,3,5-triazine
CID 177112954
8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 176760060
2-(10-naphthalen-1-yl-3-naphthalen-2-yl-1,2-dihydroanthracen-9-yl)dibenzofuran
CID 167515770
N-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 121343364
2-(2-methylphenyl)dibenzofuran
CID 118188503
2-(4-dibenzofuran-1-ylnaphthalen-2-yl)-4-(3,4-dihydronaphthalen-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 170122520
2-dibenzofuran-2-yl-4-(3-dibenzofuran-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 171445256
N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170108986
2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene
CID 176956293
N-phenyl-1,2-dihydrodibenzofuran-3-amine
CID 174387445

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine (CID 166775575) is N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine is Cc1ccccc1-c1cc2ccccc2cc1-c1cc(C2=Cc3oc4ccccc4c3CC2)ccc1Nc1cccc2oc3ccccc3c12.
What is the InChIKey of N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine?
The InChIKey is BBRKETVMOJNTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33NO2/c1-29-11-2-5-14-34(29)38-25-30-12-3-4-13-31(30)26-39(38)40-27-32(33-21-23-36-35-15-6-8-18-43(35)50-46(36)28-33)22-24-41(40)48-42-17-10-20-45-47(42)37-16-7-9-19-44(37)49-45/h2-20,22,24-28,48H,21,23H2,1H3.
What are the key properties of N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine?
N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine has a molecular weight of 643.79 g/mol, XLogP of 13.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2-dihydrodibenzofuran-3-yl)-2-[3-(2-methylphenyl)naphthalen-2-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 166775575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).