N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline

C114H68N2O5S — CID 167213699

IUPACN-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7c(-c8ccc(-c9ccc(N(c%10ccc(-c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)cc9)c9c8oc8ccccc89)cccc7c56)cc4)cc3)cc12
InChIInChI=1S/C114H68N2O5S/c1-6-28-99-89(16-1)98-68-77(52-67-103(98)117-99)71-42-55-79(56-43-71)116(81-59-46-73(47-60-81)85-22-14-33-105-109(85)95-19-3-8-30-101(95)119-105)82-61-48-74(49-62-82)86-23-15-34-106-110(86)97-27-12-25-91(112(97)121-106)92-66-65-87(111-96-20-4-9-31-102(96)120-113(92)111)75-50-63-83(64-51-75)115(80-57-44-72(45-58-80)84-21-13-32-104-108(84)94-18-2-7-29-100(94)118-104)78-53-40-70(41-54-78)69-36-38-76(39-37-69)88-24-11-26-93-90-17-5-10-35-107(90)122-114(88)93/h1-68H
InChIKeyHQHGXJHJMRXQGM-UHFFFAOYSA-N
MW1577.87 g/mol
LogP33.83
Rot. Bonds14

About N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline

N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline (PubChem CID 167213699) has the molecular formula C114H68N2O5S and a molecular weight of 1577.87 g/mol. Its IUPAC name is N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline
PubChem CID167213699
Molecular FormulaC114H68N2O5S
Molecular Weight1577.87 g/mol
Exact Mass1576.48
IUPAC NameN-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7c(-c8ccc(-c9ccc(N(c%10ccc(-c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)cc9)c9c8oc8ccccc89)cccc7c56)cc4)cc3)cc12
InChIInChI=1S/C114H68N2O5S/c1-6-28-99-89(16-1)98-68-77(52-67-103(98)117-99)71-42-55-79(56-43-71)116(81-59-46-73(47-60-81)85-22-14-33-105-109(85)95-19-3-8-30-101(95)119-105)82-61-48-74(49-62-82)86-23-15-34-106-110(86)97-27-12-25-91(112(97)121-106)92-66-65-87(111-96-20-4-9-31-102(96)120-113(92)111)75-50-63-83(64-51-75)115(80-57-44-72(45-58-80)84-21-13-32-104-108(84)94-18-2-7-29-100(94)118-104)78-53-40-70(41-54-78)69-36-38-76(39-37-69)88-24-11-26-93-90-17-5-10-35-107(90)122-114(88)93/h1-68H
InChIKeyHQHGXJHJMRXQGM-UHFFFAOYSA-N
XLogP33.83
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001577.87
LogP ≤ 533.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline with MolForge

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Related Compounds

4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzothiophen-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-4-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 170123749
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(6-phenyldibenzothiophen-3-yl)dibenzofuran-2-amine
CID 168805153
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(2-phenyldibenzofuran-4-yl)phenyl]aniline
CID 140919340
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428297
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-[4-[4-(4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]dibenzothiophen-1-yl]phenyl]phenyl]-4-phenylaniline
CID 170278959
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-3-amine
CID 168804690
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N,N-bis[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenylaniline;7-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzothiophen-3-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline;N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-phenylaniline
CID 160895838

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline?
The IUPAC name of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline (CID 167213699) is N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline?
The canonical SMILES for N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline is c1ccc2c(c1)oc1ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc(-c5cccc6oc7c(-c8ccc(-c9ccc(N(c%10ccc(-c%11ccc(-c%12cccc%13c%12sc%12ccccc%12%13)cc%11)cc%10)c%10ccc(-c%11cccc%12oc%13ccccc%13c%11%12)cc%10)cc9)c9c8oc8ccccc89)cccc7c56)cc4)cc3)cc12.
What is the InChIKey of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline?
The InChIKey is HQHGXJHJMRXQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H68N2O5S/c1-6-28-99-89(16-1)98-68-77(52-67-103(98)117-99)71-42-55-79(56-43-71)116(81-59-46-73(47-60-81)85-22-14-33-105-109(85)95-19-3-8-30-101(95)119-105)82-61-48-74(49-62-82)86-23-15-34-106-110(86)97-27-12-25-91(112(97)121-106)92-66-65-87(111-96-20-4-9-31-102(96)120-113(92)111)75-50-63-83(64-51-75)115(80-57-44-72(45-58-80)84-21-13-32-104-108(84)94-18-2-7-29-100(94)118-104)78-53-40-70(41-54-78)69-36-38-76(39-37-69)88-24-11-26-93-90-17-5-10-35-107(90)122-114(88)93/h1-68H.
What are the key properties of N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline?
N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline has a molecular weight of 1577.87 g/mol, XLogP of 33.83, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[9-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)anilino)phenyl]dibenzofuran-4-yl]dibenzofuran-1-yl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-4-(4-dibenzothiophen-4-ylphenyl)aniline is sourced from PubChem (CID 167213699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).