N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline

C92H60N2O2 — CID 174272756

IUPACN-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccc5oc6c7ccccc7cc(-c7cccc(-c8ccc(N(c9ccccc9-c9ccccc9)c9ccccc9-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9)cc8)c7)c6c5c4)cc3)c2)cc1
InChIInChI=1S/C92H60N2O2/c1-4-22-61(23-5-1)66-28-20-29-67(56-66)62-42-49-74(50-43-62)93(73-32-8-3-9-33-73)85-39-17-15-35-77(85)72-48-55-89-84(60-72)90-82(58-70-27-11-13-38-80(70)92(90)96-89)69-31-21-30-68(57-69)63-44-51-75(52-45-63)94(86-40-18-14-34-76(86)64-24-6-2-7-25-64)87-41-19-16-36-78(87)71-47-54-88-83(59-71)81-53-46-65-26-10-12-37-79(65)91(81)95-88/h1-60H
InChIKeyWLAIFZPKKDFYPP-UHFFFAOYSA-N
MW1225.50 g/mol
LogP26.40
Rot. Bonds13

About N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline

N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline (PubChem CID 174272756) has the molecular formula C92H60N2O2 and a molecular weight of 1225.50 g/mol. Its IUPAC name is N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline
PubChem CID174272756
Molecular FormulaC92H60N2O2
Molecular Weight1225.50 g/mol
Exact Mass1224.47
IUPAC NameN-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccc5oc6c7ccccc7cc(-c7cccc(-c8ccc(N(c9ccccc9-c9ccccc9)c9ccccc9-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9)cc8)c7)c6c5c4)cc3)c2)cc1
InChIInChI=1S/C92H60N2O2/c1-4-22-61(23-5-1)66-28-20-29-67(56-66)62-42-49-74(50-43-62)93(73-32-8-3-9-33-73)85-39-17-15-35-77(85)72-48-55-89-84(60-72)90-82(58-70-27-11-13-38-80(70)92(90)96-89)69-31-21-30-68(57-69)63-44-51-75(52-45-63)94(86-40-18-14-34-76(86)64-24-6-2-7-25-64)87-41-19-16-36-78(87)71-47-54-88-83(59-71)81-53-46-65-26-10-12-37-79(65)91(81)95-88/h1-60H
InChIKeyWLAIFZPKKDFYPP-UHFFFAOYSA-N
XLogP26.40
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms96
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.50
LogP ≤ 526.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline?
The IUPAC name of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline (CID 174272756) is N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline.
What is the SMILES notation for N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline?
The canonical SMILES for N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4)c4ccccc4-c4ccc5oc6c7ccccc7cc(-c7cccc(-c8ccc(N(c9ccccc9-c9ccccc9)c9ccccc9-c9ccc%10oc%11c%12ccccc%12ccc%11c%10c9)cc8)c7)c6c5c4)cc3)c2)cc1.
What is the InChIKey of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline?
The InChIKey is WLAIFZPKKDFYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H60N2O2/c1-4-22-61(23-5-1)66-28-20-29-67(56-66)62-42-49-74(50-43-62)93(73-32-8-3-9-33-73)85-39-17-15-35-77(85)72-48-55-89-84(60-72)90-82(58-70-27-11-13-38-80(70)92(90)96-89)69-31-21-30-68(57-69)63-44-51-75(52-45-63)94(86-40-18-14-34-76(86)64-24-6-2-7-25-64)87-41-19-16-36-78(87)71-47-54-88-83(59-71)81-53-46-65-26-10-12-37-79(65)91(81)95-88/h1-60H.
What are the key properties of N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline?
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline has a molecular weight of 1225.50 g/mol, XLogP of 26.40, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-phenyl-N-[4-[3-[8-[2-(N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]naphtho[1,2-b][1]benzofuran-6-yl]phenyl]phenyl]aniline is sourced from PubChem (CID 174272756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).