N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline

C60H41NO2 — CID 130390524

IUPACN-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C60H41NO2/c1-2-10-40(11-3-1)43-28-34-48(35-29-43)61(49-36-30-44(31-37-49)41-20-24-46(25-21-41)51-14-8-16-55-53-12-4-6-18-57(53)62-59(51)55)50-38-32-45(33-39-50)42-22-26-47(27-23-42)52-15-9-17-56-54-13-5-7-19-58(54)63-60(52)56/h1-16,18-39,56H,17H2
InChIKeyWQJTVEAHUDMPIM-UHFFFAOYSA-N
MW807.99 g/mol
LogP16.57
Rot. Bonds8

About N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline

N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline (PubChem CID 130390524) has the molecular formula C60H41NO2 and a molecular weight of 807.99 g/mol. Its IUPAC name is N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
PubChem CID130390524
Molecular FormulaC60H41NO2
Molecular Weight807.99 g/mol
Exact Mass807.31
IUPAC NameN-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
SMILESC1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)=C2Oc3ccccc3C2C1
InChIInChI=1S/C60H41NO2/c1-2-10-40(11-3-1)43-28-34-48(35-29-43)61(49-36-30-44(31-37-49)41-20-24-46(25-21-41)51-14-8-16-55-53-12-4-6-18-57(53)62-59(51)55)50-38-32-45(33-39-50)42-22-26-47(27-23-42)52-15-9-17-56-54-13-5-7-19-58(54)63-60(52)56/h1-16,18-39,56H,17H2
InChIKeyWQJTVEAHUDMPIM-UHFFFAOYSA-N
XLogP16.57
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.99
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9b-dihydrodibenzofuran-4-yl)-N-(2-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170300280
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 154961760
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline (CID 130390524) is N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline is C1=CC(c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cc2)=C2Oc3ccccc3C2C1.
What is the InChIKey of N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
The InChIKey is WQJTVEAHUDMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO2/c1-2-10-40(11-3-1)43-28-34-48(35-29-43)61(49-36-30-44(31-37-49)41-20-24-46(25-21-41)51-14-8-16-55-53-12-4-6-18-57(53)62-59(51)55)50-38-32-45(33-39-50)42-22-26-47(27-23-42)52-15-9-17-56-54-13-5-7-19-58(54)63-60(52)56/h1-16,18-39,56H,17H2.
What are the key properties of N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline?
N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline has a molecular weight of 807.99 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline is sourced from PubChem (CID 130390524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).