N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

C52H33NO2 — CID 171435306

IUPACN-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-11-34(12-4-1)37-19-20-39-32-42(27-23-38(39)31-37)53(41-25-21-35(22-26-41)40-24-28-46-44-15-7-9-17-48(44)54-50(46)33-40)51-43(36-13-5-2-6-14-36)29-30-47-45-16-8-10-18-49(45)55-52(47)51/h1-33H
InChIKeyRWJBORRLYOWGQY-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine

N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 171435306) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
PubChem CID171435306
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)ccc3c2)cc1
InChIInChI=1S/C52H33NO2/c1-3-11-34(12-4-1)37-19-20-39-32-42(27-23-38(39)31-37)53(41-25-21-35(22-26-41)40-24-28-46-44-15-7-9-17-48(44)54-50(46)33-40)51-43(36-13-5-2-6-14-36)29-30-47-45-16-8-10-18-49(45)55-52(47)51/h1-33H
InChIKeyRWJBORRLYOWGQY-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-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435325
N-(4-dibenzofuran-3-ylphenyl)-N-(3,5-diphenylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435107
N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435129
3-phenyl-N-(8-phenyldibenzofuran-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435530
N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435290
N-dibenzothiophen-3-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3-phenyldibenzofuran-4-amine
CID 171435439
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171434796
3-dibenzofuran-3-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-4-amine
CID 171435238
N-(4-dibenzofuran-3-ylphenyl)-N-naphthalen-2-yl-1-phenyldibenzofuran-4-amine
CID 171434822
N-dibenzofuran-1-yl-N-naphthalen-2-yl-3-phenyldibenzofuran-4-amine
CID 171434849
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
6-phenyl-N,N-bis(4-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170535880

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine (CID 171435306) is N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is c1ccc(-c2ccc3cc(N(c4ccc(-c5ccc6c(c5)oc5ccccc56)cc4)c4c(-c5ccccc5)ccc5c4oc4ccccc45)ccc3c2)cc1.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
The InChIKey is RWJBORRLYOWGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-11-34(12-4-1)37-19-20-39-32-42(27-23-38(39)31-37)53(41-25-21-35(22-26-41)40-24-28-46-44-15-7-9-17-48(44)54-50(46)33-40)51-43(36-13-5-2-6-14-36)29-30-47-45-16-8-10-18-49(45)55-52(47)51/h1-33H.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-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-dibenzofuran-3-ylphenyl)-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 171435306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).