2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole

C98H56N8O4 — CID 167128480

IUPAC2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5oc6cc7nc(-c8ccc9cc(-c%10ccc(-c%11ccc(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14c%15nc(-c%16ccc%17ccccc%17c%16)oc%15cc%15c%14oc%14ccccc%14%15)n%13)cc%12)cc%11)cc%10)ccc9c8)oc7cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C98H56N8O4/c1-3-13-57(14-4-1)60-31-37-67(38-32-60)92-102-94(74-44-35-58-15-7-9-19-69(58)50-74)104-95(103-92)75-47-48-84-79(53-75)80-54-86-82(56-85(80)107-84)99-97(109-86)76-46-43-72-49-71(41-42-73(72)52-76)65-29-27-63(28-30-65)61-23-25-62(26-24-61)64-33-39-68(40-34-64)93-101-91(66-17-5-2-6-18-66)105-96(106-93)88-89-87(55-81-78-21-11-12-22-83(78)108-90(81)88)110-98(100-89)77-45-36-59-16-8-10-20-70(59)51-77/h1-56H
InChIKeyHYMKQHHMHRMRHI-UHFFFAOYSA-N
MW1409.58 g/mol
LogP25.60
Rot. Bonds12

About 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole

2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole (PubChem CID 167128480) has the molecular formula C98H56N8O4 and a molecular weight of 1409.58 g/mol. Its IUPAC name is 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
PubChem CID167128480
Molecular FormulaC98H56N8O4
Molecular Weight1409.58 g/mol
Exact Mass1408.44
IUPAC Name2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5oc6cc7nc(-c8ccc9cc(-c%10ccc(-c%11ccc(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14c%15nc(-c%16ccc%17ccccc%17c%16)oc%15cc%15c%14oc%14ccccc%14%15)n%13)cc%12)cc%11)cc%10)ccc9c8)oc7cc6c5c4)n3)cc2)cc1
InChIInChI=1S/C98H56N8O4/c1-3-13-57(14-4-1)60-31-37-67(38-32-60)92-102-94(74-44-35-58-15-7-9-19-69(58)50-74)104-95(103-92)75-47-48-84-79(53-75)80-54-86-82(56-85(80)107-84)99-97(109-86)76-46-43-72-49-71(41-42-73(72)52-76)65-29-27-63(28-30-65)61-23-25-62(26-24-61)64-33-39-68(40-34-64)93-101-91(66-17-5-2-6-18-66)105-96(106-93)88-89-87(55-81-78-21-11-12-22-83(78)108-90(81)88)110-98(100-89)77-45-36-59-16-8-10-20-70(59)51-77/h1-56H
InChIKeyHYMKQHHMHRMRHI-UHFFFAOYSA-N
XLogP25.60
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms110
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001409.58
LogP ≤ 525.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
The IUPAC name of 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole (CID 167128480) is 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole.
What is the SMILES notation for 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
The canonical SMILES for 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4ccc5oc6cc7nc(-c8ccc9cc(-c%10ccc(-c%11ccc(-c%12ccc(-c%13nc(-c%14ccccc%14)nc(-c%14c%15nc(-c%16ccc%17ccccc%17c%16)oc%15cc%15c%14oc%14ccccc%14%15)n%13)cc%12)cc%11)cc%10)ccc9c8)oc7cc6c5c4)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
The InChIKey is HYMKQHHMHRMRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H56N8O4/c1-3-13-57(14-4-1)60-31-37-67(38-32-60)92-102-94(74-44-35-58-15-7-9-19-69(58)50-74)104-95(103-92)75-47-48-84-79(53-75)80-54-86-82(56-85(80)107-84)99-97(109-86)76-46-43-72-49-71(41-42-73(72)52-76)65-29-27-63(28-30-65)61-23-25-62(26-24-61)64-33-39-68(40-34-64)93-101-91(66-17-5-2-6-18-66)105-96(106-93)88-89-87(55-81-78-21-11-12-22-83(78)108-90(81)88)110-98(100-89)77-45-36-59-16-8-10-20-70(59)51-77/h1-56H.
What are the key properties of 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole?
2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole has a molecular weight of 1409.58 g/mol, XLogP of 25.60, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-10-[4-[4-[4-[4-[6-[6-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazol-2-yl]naphthalen-2-yl]phenyl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-f][1,3]benzoxazole is sourced from PubChem (CID 167128480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).