N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine

C24H19NO — CID 167067495

IUPACN-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine
SMILESC1=CC(c2ccccc2)=C[C@H](Nc2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C24H19NO/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22/h1-10,12-16,19,25H,11H2/t19-/m1/s1
InChIKeyYCYQPILEZJIFMO-LJQANCHMSA-N
MW337.42 g/mol
LogP6.41
Rot. Bonds3

About N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine

N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine (PubChem CID 167067495) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine
PubChem CID167067495
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC NameN-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine
SMILESC1=CC(c2ccccc2)=C[C@H](Nc2cccc3c2oc2ccccc23)C1
InChIInChI=1S/C24H19NO/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22/h1-10,12-16,19,25H,11H2/t19-/m1/s1
InChIKeyYCYQPILEZJIFMO-LJQANCHMSA-N
XLogP6.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(dibenzofuran-4-ylamino)phenyl]phenyl]dibenzofuran-4-amine
CID 172539034
4-(3-methylcyclohexa-2,4-dien-1-yl)dibenzofuran
CID 142397321
7-phenyl-16-[3-(16-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)cyclohexa-1,5-dien-1-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaene
CID 143905918
N-dibenzofuran-1-yldibenzofuran-4-amine
CID 138484831
6-methyl-2-(3-methylcyclohexa-1,5-dien-1-yl)dibenzofuran
CID 146532512
1,1'-biphenyl;dibenzofuran-4-amine
CID 144554378
5-[3-[4-[2-(cyclohexa-2,4-dien-1-ylamino)phenyl]phenyl]phenyl]-1-N,3-N-di(dibenzofuran-4-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 129311786
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
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
N-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-10-amine
CID 168804074
2-dibenzofuran-4-yl-4-(3-phenylcyclohexa-1,5-dien-1-yl)-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170129577

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine?
The IUPAC name of N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine (CID 167067495) is N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine.
What is the SMILES notation for N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine?
The canonical SMILES for N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine is C1=CC(c2ccccc2)=C[C@H](Nc2cccc3c2oc2ccccc23)C1.
What is the InChIKey of N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine?
The InChIKey is YCYQPILEZJIFMO-LJQANCHMSA-N. The full InChI is InChI=1S/C24H19NO/c1-2-8-17(9-3-1)18-10-6-11-19(16-18)25-22-14-7-13-21-20-12-4-5-15-23(20)26-24(21)22/h1-10,12-16,19,25H,11H2/t19-/m1/s1.
What are the key properties of N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine?
N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine has a molecular weight of 337.42 g/mol, XLogP of 6.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-phenylcyclohexa-2,4-dien-1-yl]dibenzofuran-4-amine is sourced from PubChem (CID 167067495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).