5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

C52H33NO2 — CID 176844259

IUPAC5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)c3ccc4c(c3)oc3cc(-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-4-13-34(14-5-1)35-23-25-38(26-24-35)53(39-27-29-44-48(31-39)54-47-22-12-21-41(51(44)47)36-15-6-2-7-16-36)40-28-30-45-49(32-40)55-50-33-46(37-17-8-3-9-18-37)42-19-10-11-20-43(42)52(45)50/h1-33H
InChIKeyRKEDNHDVKSRBFG-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine

5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (PubChem CID 176844259) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.

Molecular Properties

Compound Name5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
PubChem CID176844259
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC Name5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)c3ccc4c(c3)oc3cc(-c5ccccc5)c5ccccc5c34)cc2)cc1
InChIInChI=1S/C52H33NO2/c1-4-13-34(14-5-1)35-23-25-38(26-24-35)53(39-27-29-44-48(31-39)54-47-22-12-21-41(51(44)47)36-15-6-2-7-16-36)40-28-30-45-49(32-40)55-50-33-46(37-17-8-3-9-18-37)42-19-10-11-20-43(42)52(45)50/h1-33H
InChIKeyRKEDNHDVKSRBFG-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,N-diphenyl-4-(5-phenylnaphtho[2,1-b][1]benzofuran-9-yl)aniline
CID 176808418
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N,15-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaen-7-amine
CID 171050143
N-dibenzofuran-3-yl-5-(3,5-diphenylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 170301707
5-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765247
N-(4-naphthalen-2-ylphenyl)-5-phenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176775483
9-phenanthren-2-yl-N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 171417635
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176808325
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
N-dibenzofuran-1-yl-5-phenyl-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765019

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The IUPAC name of 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine (CID 176844259) is 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine.
What is the SMILES notation for 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The canonical SMILES for 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)c3ccc4c(c3)oc3cc(-c5ccccc5)c5ccccc5c34)cc2)cc1.
What is the InChIKey of 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
The InChIKey is RKEDNHDVKSRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-4-13-34(14-5-1)35-23-25-38(26-24-35)53(39-27-29-44-48(31-39)54-47-22-12-21-41(51(44)47)36-15-6-2-7-16-36)40-28-30-45-49(32-40)55-50-33-46(37-17-8-3-9-18-37)42-19-10-11-20-43(42)52(45)50/h1-33H.
What are the key properties of 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine?
5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-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 5-phenyl-N-(9-phenyldibenzofuran-3-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine is sourced from PubChem (CID 176844259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).