1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

C100H67BrN2O2 — CID 159645166

IUPAC1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESBrc1ccc(-c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc2c1.c1ccc2c(-c3ccc(Nc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C50H33NO.C34H23NO.C16H11Br/c1-3-14-42-34(10-1)12-7-17-44(42)36-22-28-39(29-23-36)51(40-30-24-37(25-31-40)45-18-8-13-35-11-2-4-15-43(35)45)41-32-26-38(27-33-41)46-19-9-20-48-47-16-5-6-21-49(47)52-50(46)48;1-2-9-28-23(7-1)8-5-11-29(28)24-15-19-26(20-16-24)35-27-21-17-25(18-22-27)30-12-6-13-32-31-10-3-4-14-33(31)36-34(30)32;17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-33H;1-22,35H;1-11H
InChIKeyMQWDFHFTZOTCAV-UHFFFAOYSA-N
MW1408.55 g/mol
LogP29.45
Rot. Bonds11

About 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 159645166) has the molecular formula C100H67BrN2O2 and a molecular weight of 1408.55 g/mol. Its IUPAC name is 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID159645166
Molecular FormulaC100H67BrN2O2
Molecular Weight1408.55 g/mol
Exact Mass1406.44
IUPAC Name1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESBrc1ccc(-c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc2c1.c1ccc2c(-c3ccc(Nc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc2c1
InChIInChI=1S/C50H33NO.C34H23NO.C16H11Br/c1-3-14-42-34(10-1)12-7-17-44(42)36-22-28-39(29-23-36)51(40-30-24-37(25-31-40)45-18-8-13-35-11-2-4-15-43(35)45)41-32-26-38(27-33-41)46-19-9-20-48-47-16-5-6-21-49(47)52-50(46)48;1-2-9-28-23(7-1)8-5-11-29(28)24-15-19-26(20-16-24)35-27-21-17-25(18-22-27)30-12-6-13-32-31-10-3-4-14-33(31)36-34(30)32;17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-33H;1-22,35H;1-11H
InChIKeyMQWDFHFTZOTCAV-UHFFFAOYSA-N
XLogP29.45
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001408.55
LogP ≤ 529.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)aniline
CID 159095778
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 155374408
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
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-[3-(4-bromophenyl)phenyl]dibenzofuran;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)aniline
CID 159673043

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 159645166) is 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is Brc1ccc(-c2cccc3ccccc23)cc1.c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc2c1.c1ccc2c(-c3ccc(Nc4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cccc2c1.
What is the InChIKey of 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is MQWDFHFTZOTCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO.C34H23NO.C16H11Br/c1-3-14-42-34(10-1)12-7-17-44(42)36-22-28-39(29-23-36)51(40-30-24-37(25-31-40)45-18-8-13-35-11-2-4-15-43(35)45)41-32-26-38(27-33-41)46-19-9-20-48-47-16-5-6-21-49(47)52-50(46)48;1-2-9-28-23(7-1)8-5-11-29(28)24-15-19-26(20-16-24)35-27-21-17-25(18-22-27)30-12-6-13-32-31-10-3-4-14-33(31)36-34(30)32;17-14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-33H;1-22,35H;1-11H.
What are the key properties of 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 1408.55 g/mol, XLogP of 29.45, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)naphthalene;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-ylaniline;N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 159645166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).