N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline

C100H64N2O2 — CID 174275030

IUPACN-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4c3oc3cc5c(-c6cccc7cc(-c8ccc(N(c9cccc(-c%10ccccc%10)c9)c9ccccc9-c9cccc%10c9oc9cc%11ccccc%11cc9%10)cc8)ccc67)cccc5cc34)cc2)cc1
InChIInChI=1S/C100H64N2O2/c1-3-20-65(21-4-1)68-44-51-79(52-45-68)101(80-53-46-69(47-54-80)75-43-42-67-24-7-8-25-71(67)58-75)95-40-13-11-32-86(95)88-36-19-39-91-94-62-78-30-17-35-85(92(78)64-98(94)104-100(88)91)84-34-16-29-77-59-76(50-57-83(77)84)70-48-55-81(56-49-70)102(82-31-15-28-72(60-82)66-22-5-2-6-23-66)96-41-14-12-33-87(96)89-37-18-38-90-93-61-73-26-9-10-27-74(73)63-97(93)103-99(89)90/h1-64H
InChIKeyMQHVFPWNKKZNNQ-UHFFFAOYSA-N
MW1325.62 g/mol
LogP28.71
Rot. Bonds13

About N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline (PubChem CID 174275030) has the molecular formula C100H64N2O2 and a molecular weight of 1325.62 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
PubChem CID174275030
Molecular FormulaC100H64N2O2
Molecular Weight1325.62 g/mol
Exact Mass1324.50
IUPAC NameN-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4c3oc3cc5c(-c6cccc7cc(-c8ccc(N(c9cccc(-c%10ccccc%10)c9)c9ccccc9-c9cccc%10c9oc9cc%11ccccc%11cc9%10)cc8)ccc67)cccc5cc34)cc2)cc1
InChIInChI=1S/C100H64N2O2/c1-3-20-65(21-4-1)68-44-51-79(52-45-68)101(80-53-46-69(47-54-80)75-43-42-67-24-7-8-25-71(67)58-75)95-40-13-11-32-86(95)88-36-19-39-91-94-62-78-30-17-35-85(92(78)64-98(94)104-100(88)91)84-34-16-29-77-59-76(50-57-83(77)84)70-48-55-81(56-49-70)102(82-31-15-28-72(60-82)66-22-5-2-6-23-66)96-41-14-12-33-87(96)89-37-18-38-90-93-61-73-26-9-10-27-74(73)63-97(93)103-99(89)90/h1-64H
InChIKeyMQHVFPWNKKZNNQ-UHFFFAOYSA-N
XLogP28.71
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001325.62
LogP ≤ 528.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502739
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324872
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326067
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[4-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501754
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
CID 174275128
N-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501519
N-[3-[3-[dibenzofuran-4-yl-(6-phenylnaphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-amine
CID 167086293
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
CID 174275343
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline (CID 174275030) is N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc3-c3cccc4c3oc3cc5c(-c6cccc7cc(-c8ccc(N(c9cccc(-c%10ccccc%10)c9)c9ccccc9-c9cccc%10c9oc9cc%11ccccc%11cc9%10)cc8)ccc67)cccc5cc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is MQHVFPWNKKZNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H64N2O2/c1-3-20-65(21-4-1)68-44-51-79(52-45-68)101(80-53-46-69(47-54-80)75-43-42-67-24-7-8-25-71(67)58-75)95-40-13-11-32-86(95)88-36-19-39-91-94-62-78-30-17-35-85(92(78)64-98(94)104-100(88)91)84-34-16-29-77-59-76(50-57-83(77)84)70-48-55-81(56-49-70)102(82-31-15-28-72(60-82)66-22-5-2-6-23-66)96-41-14-12-33-87(96)89-37-18-38-90-93-61-73-26-9-10-27-74(73)63-97(93)103-99(89)90/h1-64H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 1325.62 g/mol, XLogP of 28.71, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 174275030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).