4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline

C168H129B6N7 — CID 158419974

IUPAC4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline
SMILESc1ccc(B(c2ccccc2)c2ccc(N(c3ccc(B(c4ccccc4)c4ccccc4)cc3)c3ccc(B(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(B(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C114H87B3N6.C54H42B3N/c1-13-37-97(38-14-1)118(98-39-15-2-16-40-98)109-73-61-88(62-74-109)115(89-63-75-110(76-64-89)119(99-41-17-3-18-42-99)100-43-19-4-20-44-100)94-85-95(116(90-65-77-111(78-66-90)120(101-45-21-5-22-46-101)102-47-23-6-24-48-102)91-67-79-112(80-68-91)121(103-49-25-7-26-50-103)104-51-27-8-28-52-104)87-96(86-94)117(92-69-81-113(82-70-92)122(105-53-29-9-30-54-105)106-55-31-10-32-56-106)93-71-83-114(84-72-93)123(107-57-33-11-34-58-107)108-59-35-12-36-60-108;1-7-19-43(20-8-1)55(44-21-9-2-10-22-44)49-31-37-52(38-32-49)58(53-39-33-50(34-40-53)56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54-41-35-51(36-42-54)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-87H;1-42H
InChIKeyHAJHWPDXPBYQJM-UHFFFAOYSA-N
MW2310.80 g/mol
LogP30.76
Rot. Bonds39

About 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline

4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline (PubChem CID 158419974) has the molecular formula C168H129B6N7 and a molecular weight of 2310.80 g/mol. Its IUPAC name is 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline.

Molecular Properties

Compound Name4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline
PubChem CID158419974
Molecular FormulaC168H129B6N7
Molecular Weight2310.80 g/mol
Exact Mass2310.09
IUPAC Name4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline
SMILESc1ccc(B(c2ccccc2)c2ccc(N(c3ccc(B(c4ccccc4)c4ccccc4)cc3)c3ccc(B(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(B(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C114H87B3N6.C54H42B3N/c1-13-37-97(38-14-1)118(98-39-15-2-16-40-98)109-73-61-88(62-74-109)115(89-63-75-110(76-64-89)119(99-41-17-3-18-42-99)100-43-19-4-20-44-100)94-85-95(116(90-65-77-111(78-66-90)120(101-45-21-5-22-46-101)102-47-23-6-24-48-102)91-67-79-112(80-68-91)121(103-49-25-7-26-50-103)104-51-27-8-28-52-104)87-96(86-94)117(92-69-81-113(82-70-92)122(105-53-29-9-30-54-105)106-55-31-10-32-56-106)93-71-83-114(84-72-93)123(107-57-33-11-34-58-107)108-59-35-12-36-60-108;1-7-19-43(20-8-1)55(44-21-9-2-10-22-44)49-31-37-52(38-32-49)58(53-39-33-50(34-40-53)56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54-41-35-51(36-42-54)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-87H;1-42H
InChIKeyHAJHWPDXPBYQJM-UHFFFAOYSA-N
XLogP30.76
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds39
Heavy Atoms181
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002310.80
LogP ≤ 530.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline with MolForge

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Related Compounds

[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]boronic acid
CID 142746536
ethane;1-N,1-N,4-N,4-N-tetraphenylbenzene-1,4-diamine
CID 91310242
N,N-diphenylaniline;silane
CID 131739129
4-N-(4-diphenylboranylphenyl)-1-N,1-N,4-N-trimethylbenzene-1,4-diamine
CID 159627771
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
[6-(N-(4-phenylphenyl)anilino)naphthalen-2-yl]boronic acid
CID 86216082
N,N-diphenylaniline;ethene
CID 135186601
acetylene;N,N-diphenylaniline
CID 162160270

Frequently Asked Questions

What is the IUPAC name of 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline?
The IUPAC name of 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline (CID 158419974) is 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline.
What is the SMILES notation for 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline?
The canonical SMILES for 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline is c1ccc(B(c2ccccc2)c2ccc(N(c3ccc(B(c4ccccc4)c4ccccc4)cc3)c3ccc(B(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(B(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc(B(c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline?
The InChIKey is HAJHWPDXPBYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H87B3N6.C54H42B3N/c1-13-37-97(38-14-1)118(98-39-15-2-16-40-98)109-73-61-88(62-74-109)115(89-63-75-110(76-64-89)119(99-41-17-3-18-42-99)100-43-19-4-20-44-100)94-85-95(116(90-65-77-111(78-66-90)120(101-45-21-5-22-46-101)102-47-23-6-24-48-102)91-67-79-112(80-68-91)121(103-49-25-7-26-50-103)104-51-27-8-28-52-104)87-96(86-94)117(92-69-81-113(82-70-92)122(105-53-29-9-30-54-105)106-55-31-10-32-56-106)93-71-83-114(84-72-93)123(107-57-33-11-34-58-107)108-59-35-12-36-60-108;1-7-19-43(20-8-1)55(44-21-9-2-10-22-44)49-31-37-52(38-32-49)58(53-39-33-50(34-40-53)56(45-23-11-3-12-24-45)46-25-13-4-14-26-46)54-41-35-51(36-42-54)57(47-27-15-5-16-28-47)48-29-17-6-18-30-48/h1-87H;1-42H.
What are the key properties of 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline?
4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline has a molecular weight of 2310.80 g/mol, XLogP of 30.76, 39 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-bis[bis[4-(N-phenylanilino)phenyl]boranyl]phenyl]-[4-(N-phenylanilino)phenyl]boranyl]-N,N-diphenylaniline;4-diphenylboranyl-N,N-bis(4-diphenylboranylphenyl)aniline is sourced from PubChem (CID 158419974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).