N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine

C40H26BrNO — CID 121443840

IUPACN-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
SMILESBrc1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccccc4c3)c2)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C40H26BrNO/c41-31-19-21-35(37(26-31)30-18-22-40-38(25-30)36-15-6-7-16-39(36)43-40)29-11-8-14-33(24-29)42(32-12-2-1-3-13-32)34-20-17-27-9-4-5-10-28(27)23-34/h1-26H
InChIKeyAWAVXAOMSPHVJW-UHFFFAOYSA-N
MW616.56 g/mol
LogP12.31
Rot. Bonds5

About N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine

N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443840) has the molecular formula C40H26BrNO and a molecular weight of 616.56 g/mol. Its IUPAC name is N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
PubChem CID121443840
Molecular FormulaC40H26BrNO
Molecular Weight616.56 g/mol
Exact Mass615.12
IUPAC NameN-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
SMILESBrc1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccccc4c3)c2)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C40H26BrNO/c41-31-19-21-35(37(26-31)30-18-22-40-38(25-30)36-15-6-7-16-39(36)43-40)29-11-8-14-33(24-29)42(32-12-2-1-3-13-32)34-20-17-27-9-4-5-10-28(27)23-34/h1-26H
InChIKeyAWAVXAOMSPHVJW-UHFFFAOYSA-N
XLogP12.31
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.56
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
3-(4-bromo-2-dibenzofuran-3-ylphenyl)-N,N-diphenylaniline
CID 121443842
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
5-bromo-3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552089
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 174256841
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-[3-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121443674
3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline;bis(N-[3-[4-[2-dibenzofuran-2-yl-4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine)
CID 160545889

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine (CID 121443840) is N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine is Brc1ccc(-c2cccc(N(c3ccccc3)c3ccc4ccccc4c3)c2)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is AWAVXAOMSPHVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26BrNO/c41-31-19-21-35(37(26-31)30-18-22-40-38(25-30)36-15-6-7-16-39(36)43-40)29-11-8-14-33(24-29)42(32-12-2-1-3-13-32)34-20-17-27-9-4-5-10-28(27)23-34/h1-26H.
What are the key properties of N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine?
N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 616.56 g/mol, XLogP of 12.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-2-dibenzofuran-2-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).