N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline

C64H50N6O2 — CID 88592162

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C64H50N6O2/c1-39-35-41(3)61(42(4)36-39)69(51-31-23-47(24-32-51)63-67-55-15-9-11-17-57(55)71-63)49-27-19-45(20-28-49)59-60(66-54-14-8-7-13-53(54)65-59)46-21-29-50(30-22-46)70(62-43(5)37-40(2)38-44(62)6)52-33-25-48(26-34-52)64-68-56-16-10-12-18-58(56)72-64/h7-38H,1-6H3
InChIKeyAUHWUJPEBRMJAE-UHFFFAOYSA-N
MW935.14 g/mol
LogP17.37
Rot. Bonds10

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline (PubChem CID 88592162) has the molecular formula C64H50N6O2 and a molecular weight of 935.14 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline
PubChem CID88592162
Molecular FormulaC64H50N6O2
Molecular Weight935.14 g/mol
Exact Mass934.40
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1
InChIInChI=1S/C64H50N6O2/c1-39-35-41(3)61(42(4)36-39)69(51-31-23-47(24-32-51)63-67-55-15-9-11-17-57(55)71-63)49-27-19-45(20-28-49)59-60(66-54-14-8-7-13-53(54)65-59)46-21-29-50(30-22-46)70(62-43(5)37-40(2)38-44(62)6)52-33-25-48(26-34-52)64-68-56-16-10-12-18-58(56)72-64/h7-38H,1-6H3
InChIKeyAUHWUJPEBRMJAE-UHFFFAOYSA-N
XLogP17.37
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.14
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline with MolForge

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2-phenylaniline
CID 88592158
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 23722944
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]phenanthren-2-amine
CID 155402825
2-[4-[3-(4-phenanthren-9-ylphenyl)quinoxalin-2-yl]phenyl]-1,3-benzoxazole
CID 156561959
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
N-[4-[2-[2-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]phenyl]phenyl]-4-ethyl-N-(4-ethylphenyl)aniline
CID 59228567
4-anthracen-2-yl-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-3-isocyanoaniline
CID 165150291
2-N,7-N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 155473406
6-([1]benzofuro[3,2-b]quinoxalin-3-yl)-N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
CID 168765740

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline (CID 88592162) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline is Cc1cc(C)c(N(c2ccc(-c3nc4ccccc4o3)cc2)c2ccc(-c3nc4ccccc4nc3-c3ccc(N(c4ccc(-c5nc6ccccc6o5)cc4)c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline?
The InChIKey is AUHWUJPEBRMJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H50N6O2/c1-39-35-41(3)61(42(4)36-39)69(51-31-23-47(24-32-51)63-67-55-15-9-11-17-57(55)71-63)49-27-19-45(20-28-49)59-60(66-54-14-8-7-13-53(54)65-59)46-21-29-50(30-22-46)70(62-43(5)37-40(2)38-44(62)6)52-33-25-48(26-34-52)64-68-56-16-10-12-18-58(56)72-64/h7-38H,1-6H3.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline has a molecular weight of 935.14 g/mol, XLogP of 17.37, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)-N-(2,4,6-trimethylphenyl)anilino]phenyl]quinoxalin-2-yl]phenyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 88592162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).