N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C48H32BrNO — CID 122539866

IUPACN-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESBrc1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C48H32BrNO/c49-45-23-11-8-20-41(45)39-18-6-4-16-37(39)38-17-5-7-19-40(38)42-21-9-12-24-46(42)50(35-28-26-34(27-29-35)33-14-2-1-3-15-33)36-30-31-44-43-22-10-13-25-47(43)51-48(44)32-36/h1-32H
InChIKeyDKTILHSGRUEJGI-UHFFFAOYSA-N
MW718.69 g/mol
LogP14.49
Rot. Bonds7

About N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 122539866) has the molecular formula C48H32BrNO and a molecular weight of 718.69 g/mol. Its IUPAC name is N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID122539866
Molecular FormulaC48H32BrNO
Molecular Weight718.69 g/mol
Exact Mass717.17
IUPAC NameN-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESBrc1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C48H32BrNO/c49-45-23-11-8-20-41(45)39-18-6-4-16-37(39)38-17-5-7-19-40(38)42-21-9-12-24-46(42)50(35-28-26-34(27-29-35)33-14-2-1-3-15-33)36-30-31-44-43-22-10-13-25-47(43)51-48(44)32-36/h1-32H
InChIKeyDKTILHSGRUEJGI-UHFFFAOYSA-N
XLogP14.49
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.69
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(N-dibenzofuran-3-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 167086852
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172503158
N-phenyl-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172501488
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(4-dibenzofuran-3-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172502132
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-(4-phenylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789991
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
N-(2,4-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254314
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 122539866) is N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is Brc1ccccc1-c1ccccc1-c1ccccc1-c1ccccc1N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is DKTILHSGRUEJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32BrNO/c49-45-23-11-8-20-41(45)39-18-6-4-16-37(39)38-17-5-7-19-40(38)42-21-9-12-24-46(42)50(35-28-26-34(27-29-35)33-14-2-1-3-15-33)36-30-31-44-43-22-10-13-25-47(43)51-48(44)32-36/h1-32H.
What are the key properties of N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 718.69 g/mol, XLogP of 14.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-bromophenyl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 122539866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).