7-chloro-N,N,4-triphenyldibenzofuran-2-amine

C30H20ClNO — CID 155173036

IUPAC7-chloro-N,N,4-triphenyldibenzofuran-2-amine
SMILESClc1ccc2c(c1)oc1c(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C30H20ClNO/c31-22-16-17-26-28-20-25(32(23-12-6-2-7-13-23)24-14-8-3-9-15-24)19-27(21-10-4-1-5-11-21)30(28)33-29(26)18-22/h1-20H
InChIKeyPKPMWQSNMFQXFF-UHFFFAOYSA-N
MW445.95 g/mol
LogP9.38
Rot. Bonds4

About 7-chloro-N,N,4-triphenyldibenzofuran-2-amine

7-chloro-N,N,4-triphenyldibenzofuran-2-amine (PubChem CID 155173036) has the molecular formula C30H20ClNO and a molecular weight of 445.95 g/mol. Its IUPAC name is 7-chloro-N,N,4-triphenyldibenzofuran-2-amine.

Molecular Properties

Compound Name7-chloro-N,N,4-triphenyldibenzofuran-2-amine
PubChem CID155173036
Molecular FormulaC30H20ClNO
Molecular Weight445.95 g/mol
Exact Mass445.12
IUPAC Name7-chloro-N,N,4-triphenyldibenzofuran-2-amine
SMILESClc1ccc2c(c1)oc1c(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C30H20ClNO/c31-22-16-17-26-28-20-25(32(23-12-6-2-7-13-23)24-14-8-3-9-15-24)19-27(21-10-4-1-5-11-21)30(28)33-29(26)18-22/h1-20H
InChIKeyPKPMWQSNMFQXFF-UHFFFAOYSA-N
XLogP9.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]aniline
CID 167143448
N-(2-phenylphenyl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919310
3-chloro-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 138519402
7-phenyl-N,N-bis(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-amine
CID 170536147
4-naphthalen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919372
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 176608145
N,N,6-triphenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 176844324
5-dibenzofuran-4-yl-1-N,1-N,3-N,3-N-tetraphenyl-4-(2-phenylphenyl)benzene-1,3-diamine
CID 118004686
N-(9H-fluoren-2-yl)-N,4-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 140919212
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N,4-triphenyldibenzofuran-2-amine?
The IUPAC name of 7-chloro-N,N,4-triphenyldibenzofuran-2-amine (CID 155173036) is 7-chloro-N,N,4-triphenyldibenzofuran-2-amine.
What is the SMILES notation for 7-chloro-N,N,4-triphenyldibenzofuran-2-amine?
The canonical SMILES for 7-chloro-N,N,4-triphenyldibenzofuran-2-amine is Clc1ccc2c(c1)oc1c(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of 7-chloro-N,N,4-triphenyldibenzofuran-2-amine?
The InChIKey is PKPMWQSNMFQXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClNO/c31-22-16-17-26-28-20-25(32(23-12-6-2-7-13-23)24-14-8-3-9-15-24)19-27(21-10-4-1-5-11-21)30(28)33-29(26)18-22/h1-20H.
What are the key properties of 7-chloro-N,N,4-triphenyldibenzofuran-2-amine?
7-chloro-N,N,4-triphenyldibenzofuran-2-amine has a molecular weight of 445.95 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N,4-triphenyldibenzofuran-2-amine is sourced from PubChem (CID 155173036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).