N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine

C24H17NO2 — CID 166916859

IUPACN-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine
SMILESC1=CC2c3ccccc3OC2C=C1Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H17NO2/c1-3-7-21-17(5-1)19-11-9-15(13-23(19)26-21)25-16-10-12-20-18-6-2-4-8-22(18)27-24(20)14-16/h1-14,19,23,25H
InChIKeyZMQRCAWBVAEBPG-UHFFFAOYSA-N
MW351.41 g/mol
LogP6.00
Rot. Bonds2

About N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine

N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine (PubChem CID 166916859) has the molecular formula C24H17NO2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine
PubChem CID166916859
Molecular FormulaC24H17NO2
Molecular Weight351.41 g/mol
Exact Mass351.13
IUPAC NameN-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine
SMILESC1=CC2c3ccccc3OC2C=C1Nc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C24H17NO2/c1-3-7-21-17(5-1)19-11-9-15(13-23(19)26-21)25-16-10-12-20-18-6-2-4-8-22(18)27-24(20)14-16/h1-14,19,23,25H
InChIKeyZMQRCAWBVAEBPG-UHFFFAOYSA-N
XLogP6.00
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.41
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yldibenzofuran-3-amine;ethane
CID 145077285
N-(4-propan-2-ylphenyl)dibenzofuran-3-amine
CID 130195251
N-(trifluoromethyl)dibenzofuran-3-amine
CID 176550162
1-dibenzofuran-3-yl-3-[3-(dibenzofuran-3-ylcarbamoylamino)phenyl]urea
CID 4639027
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
(5S)-N-dibenzofuran-3-yl-5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29021571
5-(4a,9b-dihydrodibenzofuran-2-yl)-21-dibenzofuran-2-yl-5,21-diazanonacyclo[16.14.1.12,13.04,12.06,11.020,28.022,27.029,33.017,34]tetratriaconta-1(33),2,4(12),6,8,10,13,15,17(34),18,20(28),22,24,26,29,31-hexadecaene
CID 163986854
7,19-dichloro-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,18,20,23-decaene
CID 163712895
N-[4-(4a,9b-dihydrodibenzofuran-2-yl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 121321717
10-(4a,9b-dihydrodibenzofuran-2-yl)-14-(2-chlorophenyl)-18-dibenzofuran-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene
CID 145108624
3-(dibenzofuran-3-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3127941
N-[(2,4-dimethoxyphenyl)methyl]dibenzofuran-3-amine
CID 2981208

Frequently Asked Questions

What is the IUPAC name of N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine?
The IUPAC name of N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine (CID 166916859) is N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine?
The canonical SMILES for N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine is C1=CC2c3ccccc3OC2C=C1Nc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine?
The InChIKey is ZMQRCAWBVAEBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO2/c1-3-7-21-17(5-1)19-11-9-15(13-23(19)26-21)25-16-10-12-20-18-6-2-4-8-22(18)27-24(20)14-16/h1-14,19,23,25H.
What are the key properties of N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine?
N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine has a molecular weight of 351.41 g/mol, XLogP of 6.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,9b-dihydrodibenzofuran-3-yl)dibenzofuran-3-amine is sourced from PubChem (CID 166916859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).