N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine

C50H31NO2 — CID 167402833

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cc3c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc6ccccc6c5)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C50H31NO2/c1-2-12-33(13-3-1)44-31-45-41-28-27-38(30-48(41)53-50(45)42-16-7-6-15-40(42)44)51(37-26-21-32-11-4-5-14-35(32)29-37)36-24-22-34(23-25-36)39-18-10-20-47-49(39)43-17-8-9-19-46(43)52-47/h1-31H
InChIKeyROFTUMGDKYFQNO-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine

N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 167402833) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
PubChem CID167402833
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cc3c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc6ccccc6c5)cc4oc3c3ccccc23)cc1
InChIInChI=1S/C50H31NO2/c1-2-12-33(13-3-1)44-31-45-41-28-27-38(30-48(41)53-50(45)42-16-7-6-15-40(42)44)51(37-26-21-32-11-4-5-14-35(32)29-37)36-24-22-34(23-25-36)39-18-10-20-47-49(39)43-17-8-9-19-46(43)52-47/h1-31H
InChIKeyROFTUMGDKYFQNO-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(6-dibenzofuran-4-ylnaphthalen-2-yl)naphthalen-2-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589738
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-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(4-phenylphenyl)aniline
CID 167329609
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167329689
N-dibenzofuran-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-8-amine
CID 169285130
N-[4-(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-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-(4-dibenzofuran-1-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-4-phenylaniline
CID 166566303
N-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-N-phenyldibenzofuran-3-amine
CID 174256551

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine (CID 167402833) is N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2cc3c4ccc(N(c5ccc(-c6cccc7oc8ccccc8c67)cc5)c5ccc6ccccc6c5)cc4oc3c3ccccc23)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is ROFTUMGDKYFQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-2-12-33(13-3-1)44-31-45-41-28-27-38(30-48(41)53-50(45)42-16-7-6-15-40(42)44)51(37-26-21-32-11-4-5-14-35(32)29-37)36-24-22-34(23-25-36)39-18-10-20-47-49(39)43-17-8-9-19-46(43)52-47/h1-31H.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-5-phenylnaphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 167402833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).