N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

C64H41NO2 — CID 168804297

IUPACN-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc23)cc1
InChIInChI=1S/C64H41NO2/c1-3-14-44(15-4-1)54-24-12-29-59-60-41-47(34-39-61(60)66-62(54)59)42-30-35-49(36-31-42)65(50-37-32-46(33-38-50)53-23-10-19-43-18-7-8-22-52(43)53)51-21-9-20-48(40-51)56-26-13-28-58-57-27-11-25-55(63(57)67-64(56)58)45-16-5-2-6-17-45/h1-41H
InChIKeyKYTJXTSHFCTQHL-UHFFFAOYSA-N
MW856.04 g/mol
LogP18.44
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline

N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (PubChem CID 168804297) has the molecular formula C64H41NO2 and a molecular weight of 856.04 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
PubChem CID168804297
Molecular FormulaC64H41NO2
Molecular Weight856.04 g/mol
Exact Mass855.31
IUPAC NameN-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
SMILESc1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc23)cc1
InChIInChI=1S/C64H41NO2/c1-3-14-44(15-4-1)54-24-12-29-59-60-41-47(34-39-61(60)66-62(54)59)42-30-35-49(36-31-42)65(50-37-32-46(33-38-50)53-23-10-19-43-18-7-8-22-52(43)53)51-21-9-20-48(40-51)56-26-13-28-58-57-27-11-25-55(63(57)67-64(56)58)45-16-5-2-6-17-45/h1-41H
InChIKeyKYTJXTSHFCTQHL-UHFFFAOYSA-N
XLogP18.44
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 518.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(6-phenyldibenzofuran-4-yl)phenyl]-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]phenanthren-3-amine
CID 168805044
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N,N-bis[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(2-phenylphenyl)aniline;N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 161497099
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 168804958
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 168804352
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N,N-bis(4-dibenzofuran-3-ylphenyl)-3-(2-phenylphenyl)aniline;4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 158761116
3-dibenzofuran-4-yl-N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline
CID 164831619
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
N,N-bis(4-naphthalen-1-ylphenyl)-3-(8-phenyldibenzofuran-2-yl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N,N-bis(4-phenylphenyl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(8-phenyldibenzofuran-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 159260478
4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(7-phenylnaphthalen-1-yl)phenyl]aniline
CID 168804509

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline (CID 168804297) is N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is c1ccc(-c2cccc3c2oc2ccc(-c4ccc(N(c5ccc(-c6cccc7ccccc67)cc5)c5cccc(-c6cccc7c6oc6c(-c8ccccc8)cccc67)c5)cc4)cc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
The InChIKey is KYTJXTSHFCTQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO2/c1-3-14-44(15-4-1)54-24-12-29-59-60-41-47(34-39-61(60)66-62(54)59)42-30-35-49(36-31-42)65(50-37-32-46(33-38-50)53-23-10-19-43-18-7-8-22-52(43)53)51-21-9-20-48(40-51)56-26-13-28-58-57-27-11-25-55(63(57)67-64(56)58)45-16-5-2-6-17-45/h1-41H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline?
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline has a molecular weight of 856.04 g/mol, XLogP of 18.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline is sourced from PubChem (CID 168804297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).