N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine

C36H24N2O2 — CID 172539034

IUPACN-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1c(Nc3ccc(-c4ccc(Nc5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C36H24N2O2/c1-3-13-33-27(7-1)29-9-5-11-31(35(29)39-33)37-25-19-15-23(16-20-25)24-17-21-26(22-18-24)38-32-12-6-10-30-28-8-2-4-14-34(28)40-36(30)32/h1-22,37-38H
InChIKeyHIAUQYISHLPQSQ-UHFFFAOYSA-N
MW516.60 g/mol
LogP10.64
Rot. Bonds5

About N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine

N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 172539034) has the molecular formula C36H24N2O2 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID172539034
Molecular FormulaC36H24N2O2
Molecular Weight516.60 g/mol
Exact Mass516.18
IUPAC NameN-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc2c(c1)oc1c(Nc3ccc(-c4ccc(Nc5cccc6c5oc5ccccc56)cc4)cc3)cccc12
InChIInChI=1S/C36H24N2O2/c1-3-13-33-27(7-1)29-9-5-11-31(35(29)39-33)37-25-19-15-23(16-20-25)24-17-21-26(22-18-24)38-32-12-6-10-30-28-8-2-4-14-34(28)40-36(30)32/h1-22,37-38H
InChIKeyHIAUQYISHLPQSQ-UHFFFAOYSA-N
XLogP10.64
TPSA50.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 510.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114269
N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-4-amine
CID 172544746
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
N-[4-[3-(azetidin-3-yl)naphthalen-2-yl]phenyl]dibenzofuran-4-amine
CID 166675601
N-(4-dibenzofuran-4-ylphenyl)dibenzothiophen-1-amine
CID 165071492
N-(4-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-4-amine
CID 167038244
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-ylaniline
CID 155374295
CID 174029907
CID 174029907
N-[2-(9-methylfluoren-9-yl)phenyl]dibenzofuran-4-amine
CID 129293089
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
N-dibenzofuran-4-yl-9,9-dimethylxanthen-3-amine
CID 168806172

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine (CID 172539034) is N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine is c1ccc2c(c1)oc1c(Nc3ccc(-c4ccc(Nc5cccc6c5oc5ccccc56)cc4)cc3)cccc12.
What is the InChIKey of N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is HIAUQYISHLPQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O2/c1-3-13-33-27(7-1)29-9-5-11-31(35(29)39-33)37-25-19-15-23(16-20-25)24-17-21-26(22-18-24)38-32-12-6-10-30-28-8-2-4-14-34(28)40-36(30)32/h1-22,37-38H.
What are the key properties of N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine?
N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 516.60 g/mol, XLogP of 10.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 172539034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).