4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

C66H43NO2 — CID 138481521

IUPAC4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5c(-c6ccc7oc8ccccc8c7c6-c6ccccc6)ccc6oc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H43NO2/c1-4-14-44(15-5-1)47-28-34-52(35-29-47)67(53-36-30-48(31-37-53)45-16-6-2-7-17-45)54-38-32-49(33-39-54)46-24-26-51(27-25-46)64-56(41-43-62-66(64)58-21-11-13-23-60(58)69-62)55-40-42-61-65(57-20-10-12-22-59(57)68-61)63(55)50-18-8-3-9-19-50/h1-43H
InChIKeyRJWMODJOPSSLBX-UHFFFAOYSA-N
MW882.08 g/mol
LogP18.96
Rot. Bonds9

About 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline

4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 138481521) has the molecular formula C66H43NO2 and a molecular weight of 882.08 g/mol. Its IUPAC name is 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID138481521
Molecular FormulaC66H43NO2
Molecular Weight882.08 g/mol
Exact Mass881.33
IUPAC Name4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5c(-c6ccc7oc8ccccc8c7c6-c6ccccc6)ccc6oc7ccccc7c56)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H43NO2/c1-4-14-44(15-5-1)47-28-34-52(35-29-47)67(53-36-30-48(31-37-53)45-16-6-2-7-17-45)54-38-32-49(33-39-54)46-24-26-51(27-25-46)64-56(41-43-62-66(64)58-21-11-13-23-60(58)69-62)55-40-42-61-65(57-20-10-12-22-59(57)68-61)63(55)50-18-8-3-9-19-50/h1-43H
InChIKeyRJWMODJOPSSLBX-UHFFFAOYSA-N
XLogP18.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.08
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[1-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]aniline
CID 138481415
4-methyl-3-(2-methylphenyl)-N-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 138481542
N,N-diphenyl-4-[6-(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-yl]aniline
CID 170535971
N-[4-(6-dibenzofuran-4-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)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170535903
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 134164763
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N,4-diphenylaniline
CID 170030744
N-phenyl-N-(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-6-amine
CID 138651086
N-[4-(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-6-yl)phenyl]-N,4-diphenylaniline
CID 138651647
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]aniline
CID 135277346
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-[2-[1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2-yl]dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138481428

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 138481521) is 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc(-c5c(-c6ccc7oc8ccccc8c7c6-c6ccccc6)ccc6oc7ccccc7c56)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is RJWMODJOPSSLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H43NO2/c1-4-14-44(15-5-1)47-28-34-52(35-29-47)67(53-36-30-48(31-37-53)45-16-6-2-7-17-45)54-38-32-49(33-39-54)46-24-26-51(27-25-46)64-56(41-43-62-66(64)58-21-11-13-23-60(58)69-62)55-40-42-61-65(57-20-10-12-22-59(57)68-61)63(55)50-18-8-3-9-19-50/h1-43H.
What are the key properties of 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline?
4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 882.08 g/mol, XLogP of 18.96, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-[4-[2-(1-phenyldibenzofuran-2-yl)dibenzofuran-1-yl]phenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 138481521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).