N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

C52H33NO2 — CID 168807244

IUPACN-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6oc7c(-c8ccccc8)cccc7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-3-11-34(12-4-1)35-21-26-39(27-22-35)53(41-30-31-45-44-16-7-8-20-47(44)54-49(45)33-41)40-28-23-37(24-29-40)42-17-9-15-38-25-32-48-51(50(38)42)46-19-10-18-43(52(46)55-48)36-13-5-2-6-14-36/h1-33H
InChIKeyZPJMRGCUECXMTI-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine

N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 168807244) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID168807244
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6oc7c(-c8ccccc8)cccc7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-3-11-34(12-4-1)35-21-26-39(27-22-35)53(41-30-31-45-44-16-7-8-20-47(44)54-49(45)33-41)40-28-23-37(24-29-40)42-17-9-15-38-25-32-48-51(50(38)42)46-19-10-18-43(52(46)55-48)36-13-5-2-6-14-36/h1-33H
InChIKeyZPJMRGCUECXMTI-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),18,20,22-undecaen-7-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 153300641
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
CID 170033287
N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589738
N-[4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 122599267
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
6-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 177286252
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
N-naphthalen-2-yl-18-phenyl-N-(4-phenylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050338
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(4-phenylphenyl)aniline
CID 167329609
7-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 168805484
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762

Frequently Asked Questions

What is the IUPAC name of N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 168807244) is N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccc6oc7c(-c8ccccc8)cccc7c6c45)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ZPJMRGCUECXMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-11-34(12-4-1)35-21-26-39(27-22-35)53(41-30-31-45-44-16-7-8-20-47(44)54-49(45)33-41)40-28-23-37(24-29-40)42-17-9-15-38-25-32-48-51(50(38)42)46-19-10-18-43(52(46)55-48)36-13-5-2-6-14-36/h1-33H.
What are the key properties of N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8-phenylnaphtho[2,1-b][1]benzofuran-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 168807244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).