4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline

C112H78N8O4 — CID 155392994

IUPAC4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline
SMILESC1=CC2OC(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8cc(-c9cccc(C%10=CC%11OC(c%12ccc(N(c%13ccccc%13)c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17ccccc%17o%16)cc%15)cc%14)cc%13)cc%12)=NC%11C=C%10)c9)ccc8o7)cc6)cc5)cc4)cc3)=NC2C=C1c1ccccc1
InChIInChI=1S/C112H78N8O4/c1-6-19-75(20-7-1)86-50-69-106-103(72-86)115-111(122-106)82-45-64-99(65-46-82)119(91-27-12-4-13-28-91)95-56-37-78(38-57-95)79-39-58-96(59-40-79)120(92-29-14-5-15-30-92)100-66-47-83(48-67-100)112-116-104-73-87(51-70-107(104)123-112)84-21-18-22-85(71-84)88-49-68-102-108(74-88)124-110(114-102)81-43-62-98(63-44-81)118(90-25-10-3-11-26-90)94-54-35-77(36-55-94)76-33-52-93(53-34-76)117(89-23-8-2-9-24-89)97-60-41-80(42-61-97)109-113-101-31-16-17-32-105(101)121-109/h1-74,102-103,106,108H
InChIKeyWESOZSUFOWATSV-UHFFFAOYSA-N
MW1599.91 g/mol
LogP28.52
Rot. Bonds21

About 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline

4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline (PubChem CID 155392994) has the molecular formula C112H78N8O4 and a molecular weight of 1599.91 g/mol. Its IUPAC name is 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline.

Molecular Properties

Compound Name4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline
PubChem CID155392994
Molecular FormulaC112H78N8O4
Molecular Weight1599.91 g/mol
Exact Mass1598.61
IUPAC Name4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline
SMILESC1=CC2OC(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8cc(-c9cccc(C%10=CC%11OC(c%12ccc(N(c%13ccccc%13)c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17ccccc%17o%16)cc%15)cc%14)cc%13)cc%12)=NC%11C=C%10)c9)ccc8o7)cc6)cc5)cc4)cc3)=NC2C=C1c1ccccc1
InChIInChI=1S/C112H78N8O4/c1-6-19-75(20-7-1)86-50-69-106-103(72-86)115-111(122-106)82-45-64-99(65-46-82)119(91-27-12-4-13-28-91)95-56-37-78(38-57-95)79-39-58-96(59-40-79)120(92-29-14-5-15-30-92)100-66-47-83(48-67-100)112-116-104-73-87(51-70-107(104)123-112)84-21-18-22-85(71-84)88-49-68-102-108(74-88)124-110(114-102)81-43-62-98(63-44-81)118(90-25-10-3-11-26-90)94-54-35-77(36-55-94)76-33-52-93(53-34-76)117(89-23-8-2-9-24-89)97-60-41-80(42-61-97)109-113-101-31-16-17-32-105(101)121-109/h1-74,102-103,106,108H
InChIKeyWESOZSUFOWATSV-UHFFFAOYSA-N
XLogP28.52
TPSA108.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.91
LogP ≤ 528.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline with MolForge

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Related Compounds

N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-4-[4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-[4-[4-(benzotriazol-2-yl)-N-naphthalen-1-ylanilino]phenyl]phenyl]phenyl]-N-[4-(benzotriazol-2-yl)phenyl]naphthalen-1-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[3-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 164986125
4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[4-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]aniline
CID 154933749
N-[4-(3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]-N-(1,3-benzoxazol-2-yl)-1,3-benzoxazol-2-amine
CID 146340371
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 155402925
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 59707538
2-phenyl-N-(2-phenyl-1,3-benzoxazol-6-yl)-N-[4-(2-phenyl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazol-6-amine
CID 163575240
N-phenyl-N-(4-phenylphenyl)-2-[4-(N-(4-phenylphenyl)anilino)phenyl]-1,3-benzoxazol-5-amine
CID 153395125
N-phenyl-4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167127239
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 171754195
N-phenyl-4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167128103
9-(1,3-benzoxazol-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177081472
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline?
The IUPAC name of 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline (CID 155392994) is 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline.
What is the SMILES notation for 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline?
The canonical SMILES for 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline is C1=CC2OC(c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc(-c7nc8cc(-c9cccc(C%10=CC%11OC(c%12ccc(N(c%13ccccc%13)c%13ccc(-c%14ccc(N(c%15ccccc%15)c%15ccc(-c%16nc%17ccccc%17o%16)cc%15)cc%14)cc%13)cc%12)=NC%11C=C%10)c9)ccc8o7)cc6)cc5)cc4)cc3)=NC2C=C1c1ccccc1.
What is the InChIKey of 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline?
The InChIKey is WESOZSUFOWATSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H78N8O4/c1-6-19-75(20-7-1)86-50-69-106-103(72-86)115-111(122-106)82-45-64-99(65-46-82)119(91-27-12-4-13-28-91)95-56-37-78(38-57-95)79-39-58-96(59-40-79)120(92-29-14-5-15-30-92)100-66-47-83(48-67-100)112-116-104-73-87(51-70-107(104)123-112)84-21-18-22-85(71-84)88-49-68-102-108(74-88)124-110(114-102)81-43-62-98(63-44-81)118(90-25-10-3-11-26-90)94-54-35-77(36-55-94)76-33-52-93(53-34-76)117(89-23-8-2-9-24-89)97-60-41-80(42-61-97)109-113-101-31-16-17-32-105(101)121-109/h1-74,102-103,106,108H.
What are the key properties of 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline?
4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline has a molecular weight of 1599.91 g/mol, XLogP of 28.52, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N-[4-(1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-[4-[6-[3-[2-[4-(N-[4-[4-(N-[4-(5-phenyl-3a,7a-dihydro-1,3-benzoxazol-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-1,3-benzoxazol-5-yl]phenyl]-3a,7a-dihydro-1,3-benzoxazol-2-yl]phenyl]aniline is sourced from PubChem (CID 155392994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).