N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine

C28H18BrNO — CID 131980093

IUPACN-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESBrc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H18BrNO/c29-20-12-14-21(15-13-20)30(26-10-5-7-19-6-1-2-8-23(19)26)22-16-17-25-24-9-3-4-11-27(24)31-28(25)18-22/h1-18H
InChIKeyJZZPKJCJGJRILD-UHFFFAOYSA-N
MW464.36 g/mol
LogP8.97
Rot. Bonds3

About N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine

N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 131980093) has the molecular formula C28H18BrNO and a molecular weight of 464.36 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID131980093
Molecular FormulaC28H18BrNO
Molecular Weight464.36 g/mol
Exact Mass463.06
IUPAC NameN-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESBrc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C28H18BrNO/c29-20-12-14-21(15-13-20)30(26-10-5-7-19-6-1-2-8-23(19)26)22-16-17-25-24-9-3-4-11-27(24)31-28(25)18-22/h1-18H
InChIKeyJZZPKJCJGJRILD-UHFFFAOYSA-N
XLogP8.97
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 58.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-N,22-N-di(dibenzofuran-3-yl)-8-N,22-N-dinaphthalen-1-yl-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 165046375
N-(4-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-3-amine
CID 129085231
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-naphthalen-1-yl-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 170272670
N-naphthalen-1-yl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]dibenzofuran-3-amine
CID 174256131
N-[4-[2-[4-[4-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 76808524
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 170130998
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
N-dibenzofuran-4-yl-N-phenyl-10,22-dioxahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaen-7-amine
CID 162475643
1-N,10-N-di(dibenzofuran-3-yl)-1-N,10-N-diphenylchrysene-1,10-diamine
CID 170410635
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 121241788
N-dibenzofuran-3-yl-N-phenanthren-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 170779480

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine (CID 131980093) is N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine is Brc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is JZZPKJCJGJRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrNO/c29-20-12-14-21(15-13-20)30(26-10-5-7-19-6-1-2-8-23(19)26)22-16-17-25-24-9-3-4-11-27(24)31-28(25)18-22/h1-18H.
What are the key properties of N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine?
N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine has a molecular weight of 464.36 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 131980093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).