7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine

C25H18ClNO — CID 155173021

IUPAC7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine
SMILESCc1cc(Cl)cc2oc3ccc(N(c4ccccc4)c4ccccc4)cc3c12
InChIInChI=1S/C25H18ClNO/c1-17-14-18(26)15-24-25(17)22-16-21(12-13-23(22)28-24)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyKRTZBEIDXXEXQG-UHFFFAOYSA-N
MW383.88 g/mol
LogP8.02
Rot. Bonds3

About 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine

7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine (PubChem CID 155173021) has the molecular formula C25H18ClNO and a molecular weight of 383.88 g/mol. Its IUPAC name is 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine.

Molecular Properties

Compound Name7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine
PubChem CID155173021
Molecular FormulaC25H18ClNO
Molecular Weight383.88 g/mol
Exact Mass383.11
IUPAC Name7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine
SMILESCc1cc(Cl)cc2oc3ccc(N(c4ccccc4)c4ccccc4)cc3c12
InChIInChI=1S/C25H18ClNO/c1-17-14-18(26)15-24-25(17)22-16-21(12-13-23(22)28-24)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyKRTZBEIDXXEXQG-UHFFFAOYSA-N
XLogP8.02
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-chloro-N,N-diphenyldibenzofuran-2-amine
CID 139422567
6-methyl-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 170296830
N,N-diphenyldibenzofuran-2-amine
CID 58038469
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
9-methyl-2-N,7-N,7-N-triphenyl-2-N-spiro[fluorene-9,9'-thioxanthene]-3-yldibenzofuran-2,7-diamine
CID 155483400
2-N,8-N-bis(4-bromophenyl)-2-N,8-N-bis(4-methylphenyl)dibenzofuran-2,8-diamine;2-N,8-N-bis(4-methylphenyl)-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 164952868
N,N-diphenyl-22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-amine
CID 167121638
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 145264526
8-methyl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 163712380
5-tert-butyl-3-N-[3-(N-(3-chlorodibenzofuran-1-yl)anilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164760005

Frequently Asked Questions

What is the IUPAC name of 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine?
The IUPAC name of 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine (CID 155173021) is 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine.
What is the SMILES notation for 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine?
The canonical SMILES for 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine is Cc1cc(Cl)cc2oc3ccc(N(c4ccccc4)c4ccccc4)cc3c12.
What is the InChIKey of 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine?
The InChIKey is KRTZBEIDXXEXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClNO/c1-17-14-18(26)15-24-25(17)22-16-21(12-13-23(22)28-24)27(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine?
7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine has a molecular weight of 383.88 g/mol, XLogP of 8.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-9-methyl-N,N-diphenyldibenzofuran-2-amine is sourced from PubChem (CID 155173021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).