2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

C72H52N4O — CID 135189551

IUPAC2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccc4oc5ccc(N(c6ccccc6)c6cc(-c7ccccc7)cc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C72H52N4O/c1-9-25-53(26-10-1)55-45-65(73(57-29-13-3-14-30-57)58-31-15-4-16-32-58)49-67(47-55)75(61-37-21-7-22-38-61)63-41-43-71-69(51-63)70-52-64(42-44-72(70)77-71)76(62-39-23-8-24-40-62)68-48-56(54-27-11-2-12-28-54)46-66(50-68)74(59-33-17-5-18-34-59)60-35-19-6-20-36-60/h1-52H
InChIKeyQJPWKVZITJCVLN-UHFFFAOYSA-N
MW989.24 g/mol
LogP20.80
Rot. Bonds14

About 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine

2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (PubChem CID 135189551) has the molecular formula C72H52N4O and a molecular weight of 989.24 g/mol. Its IUPAC name is 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
PubChem CID135189551
Molecular FormulaC72H52N4O
Molecular Weight989.24 g/mol
Exact Mass988.41
IUPAC Name2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine
SMILESc1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccc4oc5ccc(N(c6ccccc6)c6cc(-c7ccccc7)cc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3)c2)cc1
InChIInChI=1S/C72H52N4O/c1-9-25-53(26-10-1)55-45-65(73(57-29-13-3-14-30-57)58-31-15-4-16-32-58)49-67(47-55)75(61-37-21-7-22-38-61)63-41-43-71-69(51-63)70-52-64(42-44-72(70)77-71)76(62-39-23-8-24-40-62)68-48-56(54-27-11-2-12-28-54)46-66(50-68)74(59-33-17-5-18-34-59)60-35-19-6-20-36-60/h1-52H
InChIKeyQJPWKVZITJCVLN-UHFFFAOYSA-N
XLogP20.80
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.24
LogP ≤ 520.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
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-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
8-phenyl-N,N-bis(8-phenyldibenzofuran-2-yl)dibenzofuran-2-amine
CID 59470035
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
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
16-phenyl-N,N-bis[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 171050361
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)triphenylen-2-amine
CID 118214562
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine (CID 135189551) is 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is c1ccc(-c2cc(N(c3ccccc3)c3ccccc3)cc(N(c3ccccc3)c3ccc4oc5ccc(N(c6ccccc6)c6cc(-c7ccccc7)cc(N(c7ccccc7)c7ccccc7)c6)cc5c4c3)c2)cc1.
What is the InChIKey of 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
The InChIKey is QJPWKVZITJCVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N4O/c1-9-25-53(26-10-1)55-45-65(73(57-29-13-3-14-30-57)58-31-15-4-16-32-58)49-67(47-55)75(61-37-21-7-22-38-61)63-41-43-71-69(51-63)70-52-64(42-44-72(70)77-71)76(62-39-23-8-24-40-62)68-48-56(54-27-11-2-12-28-54)46-66(50-68)74(59-33-17-5-18-34-59)60-35-19-6-20-36-60/h1-52H.
What are the key properties of 2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine?
2-N,8-N-diphenyl-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine has a molecular weight of 989.24 g/mol, XLogP of 20.80, 14 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-2-N,8-N-bis[3-phenyl-5-(N-phenylanilino)phenyl]dibenzofuran-2,8-diamine is sourced from PubChem (CID 135189551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).