4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene

C69H53N3O — CID 144810564

IUPAC4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene
SMILESC=CC.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4oc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C66H47N3O.C3H6/c1-7-19-53(20-8-1)67(54-21-9-2-10-22-54)59-38-31-48(32-39-59)51-37-44-65-63(45-51)64-47-52(49-33-40-60(41-34-49)68(55-23-11-3-12-24-55)56-25-13-4-14-26-56)46-62(66(64)70-65)50-35-42-61(43-36-50)69(57-27-15-5-16-28-57)58-29-17-6-18-30-58;1-3-2/h1-47H;3H,1H2,2H3
InChIKeyWYEZYMROHAOBFV-UHFFFAOYSA-N
MW940.20 g/mol
LogP20.19
Rot. Bonds12

About 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene

4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene (PubChem CID 144810564) has the molecular formula C69H53N3O and a molecular weight of 940.20 g/mol. Its IUPAC name is 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene.

Molecular Properties

Compound Name4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene
PubChem CID144810564
Molecular FormulaC69H53N3O
Molecular Weight940.20 g/mol
Exact Mass939.42
IUPAC Name4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene
SMILESC=CC.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4oc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c4c3)cc2)cc1
InChIInChI=1S/C66H47N3O.C3H6/c1-7-19-53(20-8-1)67(54-21-9-2-10-22-54)59-38-31-48(32-39-59)51-37-44-65-63(45-51)64-47-52(49-33-40-60(41-34-49)68(55-23-11-3-12-24-55)56-25-13-4-14-26-56)46-62(66(64)70-65)50-35-42-61(43-36-50)69(57-27-15-5-16-28-57)58-29-17-6-18-30-58;1-3-2/h1-47H;3H,1H2,2H3
InChIKeyWYEZYMROHAOBFV-UHFFFAOYSA-N
XLogP20.19
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.20
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(6,8-diphenyldibenzofuran-2-yl)-N,N-diphenylaniline
CID 130208140
N-[4-(4-dibenzofuran-2-yldibenzofuran-2-yl)phenyl]-N,4-diphenylaniline
CID 140919148
N,4-diphenyl-N-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402859
9,9-dimethyl-N,7-diphenyl-N-[4-[4-(4-phenyldibenzofuran-2-yl)phenyl]phenyl]fluoren-2-amine
CID 67964222
N,N-diphenyl-4-(5-triphenylen-2-yl-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-yl)aniline
CID 170535871
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-N,4-diphenylaniline;N-[4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 162204343
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824
4-[2-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-N,N-diphenylaniline
CID 140919277
N-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N,4-diphenylaniline
CID 167132748
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
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

Frequently Asked Questions

What is the IUPAC name of 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene?
The IUPAC name of 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene (CID 144810564) is 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene.
What is the SMILES notation for 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene?
The canonical SMILES for 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene is C=CC.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4oc5c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5c4c3)cc2)cc1.
What is the InChIKey of 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene?
The InChIKey is WYEZYMROHAOBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N3O.C3H6/c1-7-19-53(20-8-1)67(54-21-9-2-10-22-54)59-38-31-48(32-39-59)51-37-44-65-63(45-51)64-47-52(49-33-40-60(41-34-49)68(55-23-11-3-12-24-55)56-25-13-4-14-26-56)46-62(66(64)70-65)50-35-42-61(43-36-50)69(57-27-15-5-16-28-57)58-29-17-6-18-30-58;1-3-2/h1-47H;3H,1H2,2H3.
What are the key properties of 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene?
4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene has a molecular weight of 940.20 g/mol, XLogP of 20.19, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,8-bis[4-(N-phenylanilino)phenyl]dibenzofuran-2-yl]-N,N-diphenylaniline;prop-1-ene is sourced from PubChem (CID 144810564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).