N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine

C40H32ClNO — CID 166084693

IUPACN-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine
SMILESCC(C)(C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(Cl)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C40H32ClNO/c1-40(2,3)31-18-20-32(21-19-31)42(34-25-36-35-16-10-11-17-38(35)43-39(36)37(41)26-34)33-23-29(27-12-6-4-7-13-27)22-30(24-33)28-14-8-5-9-15-28/h4-26H,1-3H3
InChIKeyWTZYLWQUQFPRJN-UHFFFAOYSA-N
MW578.16 g/mol
LogP12.34
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine

N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine (PubChem CID 166084693) has the molecular formula C40H32ClNO and a molecular weight of 578.16 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine
PubChem CID166084693
Molecular FormulaC40H32ClNO
Molecular Weight578.16 g/mol
Exact Mass577.22
IUPAC NameN-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine
SMILESCC(C)(C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(Cl)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C40H32ClNO/c1-40(2,3)31-18-20-32(21-19-31)42(34-25-36-35-16-10-11-17-38(35)43-39(36)37(41)26-34)33-23-29(27-12-6-4-7-13-27)22-30(24-33)28-14-8-5-9-15-28/h4-26H,1-3H3
InChIKeyWTZYLWQUQFPRJN-UHFFFAOYSA-N
XLogP12.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.16
LogP ≤ 512.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
7-N,21-N-bis(4-tert-butylphenyl)-7-N,21-N-di(dibenzofuran-3-yl)-10,15,24-trioxaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17(25),18(23),19,21,26-dodecaene-7,21-diamine
CID 158493621
N,N-bis[4-(4-tert-butylphenyl)phenyl]phenanthren-2-amine;N,N-bis(4-phenylphenyl)phenanthren-2-amine;N-phenanthren-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 164956359
N-(3,5-diphenylphenyl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-(3-phenylphenyl)-N-(4-phenylphenyl)-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine;N-phenyl-N-[4-(3-phenylphenyl)phenyl]-3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaen-18-amine
CID 162215489
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
N,N-bis(4-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465201
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
CID 118214562
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-(4-chlorophenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 142730139

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine (CID 166084693) is N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine is CC(C)(C)c1ccc(N(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(Cl)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine?
The InChIKey is WTZYLWQUQFPRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32ClNO/c1-40(2,3)31-18-20-32(21-19-31)42(34-25-36-35-16-10-11-17-38(35)43-39(36)37(41)26-34)33-23-29(27-12-6-4-7-13-27)22-30(24-33)28-14-8-5-9-15-28/h4-26H,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine?
N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine has a molecular weight of 578.16 g/mol, XLogP of 12.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-chloro-N-(3,5-diphenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 166084693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).