N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline

C116H74N4O4 — CID 167124692

IUPACN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc(-c7cccc(-c8ccc(N(c9ccc(-c%10cccc%11c%10oc%10ccc%12nc(-c%13ccccc%13)oc%12c%10%11)cc9)c9ccccc9-c9ccc(-c%10ccccc%10)cc9)cc8)c7)c6)cc5)cc4)c4ccc(-c5cc6oc7ccccc7c6c6oc(-c7ccccc7)nc56)cc4)c3)cc2)cc1
InChIInChI=1S/C116H74N4O4/c1-5-21-75(22-6-1)77-41-47-82(48-42-77)93-33-19-34-98(73-93)119(95-65-59-86(60-66-95)103-74-108-109(101-36-14-16-40-106(101)121-108)114-111(103)118-116(124-114)88-27-11-4-12-28-88)94-61-53-80(54-62-94)79-43-45-81(46-44-79)89-29-17-31-91(71-89)92-32-18-30-90(72-92)83-55-63-96(64-56-83)120(105-39-15-13-35-99(105)84-51-49-78(50-52-84)76-23-7-2-8-24-76)97-67-57-85(58-68-97)100-37-20-38-102-110-107(122-112(100)102)70-69-104-113(110)123-115(117-104)87-25-9-3-10-26-87/h1-74H
InChIKeyXNJRJKXUNDGZNM-UHFFFAOYSA-N
MW1587.89 g/mol
LogP32.71
Rot. Bonds18

About N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline

N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline (PubChem CID 167124692) has the molecular formula C116H74N4O4 and a molecular weight of 1587.89 g/mol. Its IUPAC name is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline
PubChem CID167124692
Molecular FormulaC116H74N4O4
Molecular Weight1587.89 g/mol
Exact Mass1586.57
IUPAC NameN-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc(-c7cccc(-c8ccc(N(c9ccc(-c%10cccc%11c%10oc%10ccc%12nc(-c%13ccccc%13)oc%12c%10%11)cc9)c9ccccc9-c9ccc(-c%10ccccc%10)cc9)cc8)c7)c6)cc5)cc4)c4ccc(-c5cc6oc7ccccc7c6c6oc(-c7ccccc7)nc56)cc4)c3)cc2)cc1
InChIInChI=1S/C116H74N4O4/c1-5-21-75(22-6-1)77-41-47-82(48-42-77)93-33-19-34-98(73-93)119(95-65-59-86(60-66-95)103-74-108-109(101-36-14-16-40-106(101)121-108)114-111(103)118-116(124-114)88-27-11-4-12-28-88)94-61-53-80(54-62-94)79-43-45-81(46-44-79)89-29-17-31-91(71-89)92-32-18-30-90(72-92)83-55-63-96(64-56-83)120(105-39-15-13-35-99(105)84-51-49-78(50-52-84)76-23-7-2-8-24-76)97-67-57-85(58-68-97)100-37-20-38-102-110-107(122-112(100)102)70-69-104-113(110)123-115(117-104)87-25-9-3-10-26-87/h1-74H
InChIKeyXNJRJKXUNDGZNM-UHFFFAOYSA-N
XLogP32.71
TPSA84.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001587.89
LogP ≤ 532.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167123196
2-phenyl-N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167122974
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123804
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-amine
CID 167123009
2-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167124386
4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
N-[4-(7,18-dioxa-9-azapentacyclo[13.2.1.05,17.06,10.011,16]octadeca-1,3,5(17),6(10),8,11(16),12,14-octaen-8-yl)phenyl]-N,2-diphenylaniline
CID 177089780
N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-(2-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123135
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176877752

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline (CID 167124692) is N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc(-c6cccc(-c7cccc(-c8ccc(N(c9ccc(-c%10cccc%11c%10oc%10ccc%12nc(-c%13ccccc%13)oc%12c%10%11)cc9)c9ccccc9-c9ccc(-c%10ccccc%10)cc9)cc8)c7)c6)cc5)cc4)c4ccc(-c5cc6oc7ccccc7c6c6oc(-c7ccccc7)nc56)cc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline?
The InChIKey is XNJRJKXUNDGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H74N4O4/c1-5-21-75(22-6-1)77-41-47-82(48-42-77)93-33-19-34-98(73-93)119(95-65-59-86(60-66-95)103-74-108-109(101-36-14-16-40-106(101)121-108)114-111(103)118-116(124-114)88-27-11-4-12-28-88)94-61-53-80(54-62-94)79-43-45-81(46-44-79)89-29-17-31-91(71-89)92-32-18-30-90(72-92)83-55-63-96(64-56-83)120(105-39-15-13-35-99(105)84-51-49-78(50-52-84)76-23-7-2-8-24-76)97-67-57-85(58-68-97)100-37-20-38-102-110-107(122-112(100)102)70-69-104-113(110)123-115(117-104)87-25-9-3-10-26-87/h1-74H.
What are the key properties of N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline?
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline has a molecular weight of 1587.89 g/mol, XLogP of 32.71, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-[4-[3-[3-[4-[4-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-4-yl)-N-[3-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 167124692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).