N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline

C62H41NO — CID 155374301

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C62H41NO/c1-3-13-48-39-51(29-25-42(48)11-1)45-31-35-53(36-32-45)63(54-37-33-47(34-38-54)58-20-10-21-60-59-19-7-8-22-61(59)64-62(58)60)55-16-9-15-50(41-55)44-23-27-46(28-24-44)56-17-5-6-18-57(56)52-30-26-43-12-2-4-14-49(43)40-52/h1-41H
InChIKeyDHCJRDJFJJBSBV-UHFFFAOYSA-N
MW816.02 g/mol
LogP17.70
Rot. Bonds8

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline

N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (PubChem CID 155374301) has the molecular formula C62H41NO and a molecular weight of 816.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
PubChem CID155374301
Molecular FormulaC62H41NO
Molecular Weight816.02 g/mol
Exact Mass815.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
SMILESc1cc(-c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1
InChIInChI=1S/C62H41NO/c1-3-13-48-39-51(29-25-42(48)11-1)45-31-35-53(36-32-45)63(54-37-33-47(34-38-54)58-20-10-21-60-59-19-7-8-22-61(59)64-62(58)60)55-16-9-15-50(41-55)44-23-27-46(28-24-44)56-17-5-6-18-57(56)52-30-26-43-12-2-4-14-49(43)40-52/h1-41H
InChIKeyDHCJRDJFJJBSBV-UHFFFAOYSA-N
XLogP17.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.02
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[3-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 168790758
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770461
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-3-naphthalen-2-yl-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330309
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-3-phenylaniline
CID 137392933
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline (CID 155374301) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is c1cc(-c2ccc(-c3ccccc3-c3ccc4ccccc4c3)cc2)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
The InChIKey is DHCJRDJFJJBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO/c1-3-13-48-39-51(29-25-42(48)11-1)45-31-35-53(36-32-45)63(54-37-33-47(34-38-54)58-20-10-21-60-59-19-7-8-22-61(59)64-62(58)60)55-16-9-15-50(41-55)44-23-27-46(28-24-44)56-17-5-6-18-57(56)52-30-26-43-12-2-4-14-49(43)40-52/h1-41H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline has a molecular weight of 816.02 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline is sourced from PubChem (CID 155374301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).