N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C42H28BrNO — CID 142750812

IUPACN-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2oc3ccccc3c12
InChIInChI=1S/C42H28BrNO/c43-39-28-27-37(42-41(39)38-13-7-8-14-40(38)45-42)33-19-25-36(26-20-33)44(34-21-15-31(16-22-34)29-9-3-1-4-10-29)35-23-17-32(18-24-35)30-11-5-2-6-12-30/h1-28H
InChIKeyZGGQGDFHENOIAI-UHFFFAOYSA-N
MW642.60 g/mol
LogP12.82
Rot. Bonds6

About N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 142750812) has the molecular formula C42H28BrNO and a molecular weight of 642.60 g/mol. Its IUPAC name is N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID142750812
Molecular FormulaC42H28BrNO
Molecular Weight642.60 g/mol
Exact Mass641.14
IUPAC NameN-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2oc3ccccc3c12
InChIInChI=1S/C42H28BrNO/c43-39-28-27-37(42-41(39)38-13-7-8-14-40(38)45-42)33-19-25-36(26-20-33)44(34-21-15-31(16-22-34)29-9-3-1-4-10-29)35-23-17-32(18-24-35)30-11-5-2-6-12-30/h1-28H
InChIKeyZGGQGDFHENOIAI-UHFFFAOYSA-N
XLogP12.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.60
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-4-(4-iodophenyl)dibenzofuran
CID 155078128
N-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]-N,4-diphenylaniline
CID 169060901
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
N-[4-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157330608
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
N-[4-(4-phenyldibenzofuran-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 176821352
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N,N-diphenyl-4-[6-(4-phenylphenyl)-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-7-yl]aniline
CID 170535971

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 142750812) is N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Brc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2oc3ccccc3c12.
What is the InChIKey of N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ZGGQGDFHENOIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28BrNO/c43-39-28-27-37(42-41(39)38-13-7-8-14-40(38)45-42)33-19-25-36(26-20-33)44(34-21-15-31(16-22-34)29-9-3-1-4-10-29)35-23-17-32(18-24-35)30-11-5-2-6-12-30/h1-28H.
What are the key properties of N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 642.60 g/mol, XLogP of 12.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-bromodibenzofuran-4-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 142750812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).