3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline

C52H35NO2 — CID 170238372

IUPAC3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
SMILESC1=C(c2ccccc2)CCC(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)=C1
InChIInChI=1S/C52H35NO2/c1-2-10-34(11-3-1)35-22-27-40(28-23-35)53(42-13-8-12-39(32-42)43-16-9-19-49-51(43)44-14-4-6-17-47(44)54-49)41-29-24-36(25-30-41)38-21-20-37-26-31-50-52(46(37)33-38)45-15-5-7-18-48(45)55-50/h1-22,24-27,29-33H,23,28H2
InChIKeyYKFMNAKFDXBRDJ-UHFFFAOYSA-N
MW705.86 g/mol
LogP14.87
Rot. Bonds6

About 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline

3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline (PubChem CID 170238372) has the molecular formula C52H35NO2 and a molecular weight of 705.86 g/mol. Its IUPAC name is 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
PubChem CID170238372
Molecular FormulaC52H35NO2
Molecular Weight705.86 g/mol
Exact Mass705.27
IUPAC Name3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline
SMILESC1=C(c2ccccc2)CCC(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)=C1
InChIInChI=1S/C52H35NO2/c1-2-10-34(11-3-1)35-22-27-40(28-23-35)53(42-13-8-12-39(32-42)43-16-9-19-49-51(43)44-14-4-6-17-47(44)54-49)41-29-24-36(25-30-41)38-21-20-37-26-31-50-52(46(37)33-38)45-15-5-7-18-48(45)55-50/h1-22,24-27,29-33H,23,28H2
InChIKeyYKFMNAKFDXBRDJ-UHFFFAOYSA-N
XLogP14.87
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
3-dibenzofuran-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810427
3-dibenzofuran-1-yl-N-(3-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-3-ylphenyl)phenyl]aniline
CID 176810276
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)chrysen-1-amine
CID 170137895
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
9-phenanthren-3-yl-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 172508788
N-(3-dibenzofuran-1-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 176810568
N-(9-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-2-yl)-N-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170001218
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167331100
N-[3-(4-naphtho[2,1-b][1]benzofuran-2-yl-2-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170127172
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 170033252
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The IUPAC name of 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline (CID 170238372) is 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline.
What is the SMILES notation for 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The canonical SMILES for 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline is C1=C(c2ccccc2)CCC(N(c2ccc(-c3ccc4ccc5oc6ccccc6c5c4c3)cc2)c2cccc(-c3cccc4oc5ccccc5c34)c2)=C1.
What is the InChIKey of 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
The InChIKey is YKFMNAKFDXBRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO2/c1-2-10-34(11-3-1)35-22-27-40(28-23-35)53(42-13-8-12-39(32-42)43-16-9-19-49-51(43)44-14-4-6-17-47(44)54-49)41-29-24-36(25-30-41)38-21-20-37-26-31-50-52(46(37)33-38)45-15-5-7-18-48(45)55-50/h1-22,24-27,29-33H,23,28H2.
What are the key properties of 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline?
3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline has a molecular weight of 705.86 g/mol, XLogP of 14.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-1,3-dien-1-yl)aniline is sourced from PubChem (CID 170238372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).