2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

C64H46N4O — CID 145264526

IUPAC2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C64H46N4O/c1-7-21-47(22-8-1)65(48-23-9-2-10-24-48)53-35-37-54(38-36-53)66(49-25-11-3-12-26-49)55-39-43-63-59(45-55)60-46-56(40-44-64(60)69-63)68(52-31-17-6-18-32-52)62-42-41-61(57-33-19-20-34-58(57)62)67(50-27-13-4-14-28-50)51-29-15-5-16-30-51/h1-46H
InChIKeyUXRPPPCWTLHJPG-UHFFFAOYSA-N
MW887.10 g/mol
LogP18.62
Rot. Bonds12

About 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (PubChem CID 145264526) has the molecular formula C64H46N4O and a molecular weight of 887.10 g/mol. Its IUPAC name is 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
PubChem CID145264526
Molecular FormulaC64H46N4O
Molecular Weight887.10 g/mol
Exact Mass886.37
IUPAC Name2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)cc5c4c3)cc2)cc1
InChIInChI=1S/C64H46N4O/c1-7-21-47(22-8-1)65(48-23-9-2-10-24-48)53-35-37-54(38-36-53)66(49-25-11-3-12-26-49)55-39-43-63-59(45-55)60-46-56(40-44-64(60)69-63)68(52-31-17-6-18-32-52)62-42-41-61(57-33-19-20-34-58(57)62)67(50-27-13-4-14-28-50)51-29-15-5-16-30-51/h1-46H
InChIKeyUXRPPPCWTLHJPG-UHFFFAOYSA-N
XLogP18.62
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.10
LogP ≤ 518.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diphenyldibenzofuran-2-amine
CID 58038469
1-N-dibenzofuran-2-yl-1-N,5-N-diphenyl-5-N-(4-phenylphenyl)naphthalene-1,5-diamine
CID 166917710
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
CID 135189551
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
N-phenanthren-9-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-2-amine
CID 89295821
N,16-diphenyl-N-[4-(4-phenylphenyl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171050312
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (CID 145264526) is 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4oc5ccc(N(c6ccccc6)c6ccc(N(c7ccccc7)c7ccccc7)c7ccccc67)cc5c4c3)cc2)cc1.
What is the InChIKey of 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The InChIKey is UXRPPPCWTLHJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4O/c1-7-21-47(22-8-1)65(48-23-9-2-10-24-48)53-35-37-54(38-36-53)66(49-25-11-3-12-26-49)55-39-43-63-59(45-55)60-46-56(40-44-64(60)69-63)68(52-31-17-6-18-32-52)62-42-41-61(57-33-19-20-34-58(57)62)67(50-27-13-4-14-28-50)51-29-15-5-16-30-51/h1-46H.
What are the key properties of 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine has a molecular weight of 887.10 g/mol, XLogP of 18.62, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-diphenyl-8-N-[4-(N-phenylanilino)naphthalen-1-yl]-2-N-[4-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is sourced from PubChem (CID 145264526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).