N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine

C94H60N2O2 — CID 174272949

IUPACN-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc(-c5cccc(N(c6ccccc6-c6ccc7oc8c9ccccc9ccc8c7c6)c6cccc7ccccc67)c5)cc4)cc3-c3ccc4oc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C94H60N2O2/c1-2-19-61(20-3-1)68-27-14-30-74(55-68)95(75-31-16-29-71(57-75)78-38-17-25-64-21-4-8-33-77(64)78)90-52-47-70(58-85(90)73-49-54-92-87(60-73)84-51-46-67-24-7-11-37-82(67)94(84)98-92)63-43-41-62(42-44-63)69-28-15-32-76(56-69)96(89-40-18-26-65-22-5-9-34-79(65)89)88-39-13-12-35-80(88)72-48-53-91-86(59-72)83-50-45-66-23-6-10-36-81(66)93(83)97-91/h1-60H
InChIKeyQCXKKGAFACRCJN-UHFFFAOYSA-N
MW1249.53 g/mol
LogP27.04
Rot. Bonds12

About N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine

N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine (PubChem CID 174272949) has the molecular formula C94H60N2O2 and a molecular weight of 1249.53 g/mol. Its IUPAC name is N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
PubChem CID174272949
Molecular FormulaC94H60N2O2
Molecular Weight1249.53 g/mol
Exact Mass1248.47
IUPAC NameN-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc(-c5cccc(N(c6ccccc6-c6ccc7oc8c9ccccc9ccc8c7c6)c6cccc7ccccc67)c5)cc4)cc3-c3ccc4oc5c6ccccc6ccc5c4c3)c2)cc1
InChIInChI=1S/C94H60N2O2/c1-2-19-61(20-3-1)68-27-14-30-74(55-68)95(75-31-16-29-71(57-75)78-38-17-25-64-21-4-8-33-77(64)78)90-52-47-70(58-85(90)73-49-54-92-87(60-73)84-51-46-67-24-7-11-37-82(67)94(84)98-92)63-43-41-62(42-44-63)69-28-15-32-76(56-69)96(89-40-18-26-65-22-5-9-34-79(65)89)88-39-13-12-35-80(88)72-48-53-91-86(59-72)83-50-45-66-23-6-10-36-81(66)93(83)97-91/h1-60H
InChIKeyQCXKKGAFACRCJN-UHFFFAOYSA-N
XLogP27.04
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001249.53
LogP ≤ 527.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine with MolForge

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
N-[4-(3,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174272400
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174281108
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 174272765
7-[4-[N-dibenzofuran-2-yl-4-(3,4-diphenylphenyl)anilino]-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 174280852
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
N-(3-naphtho[1,2-b][1]benzofuran-8-ylphenyl)-2-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
CID 167330599
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzofuran-2-amine
CID 174280847
2-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167323911
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-8-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 174273290
N-[2-[3-[5-[10-[N-dibenzofuran-4-yl-2-(3-naphthalen-1-ylphenyl)anilino]triphenylen-2-yl]naphthalen-1-yl]phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 170014571

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine (CID 174272949) is N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc(-c4ccc(-c5cccc(N(c6ccccc6-c6ccc7oc8c9ccccc9ccc8c7c6)c6cccc7ccccc67)c5)cc4)cc3-c3ccc4oc5c6ccccc6ccc5c4c3)c2)cc1.
What is the InChIKey of N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine?
The InChIKey is QCXKKGAFACRCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H60N2O2/c1-2-19-61(20-3-1)68-27-14-30-74(55-68)95(75-31-16-29-71(57-75)78-38-17-25-64-21-4-8-33-77(64)78)90-52-47-70(58-85(90)73-49-54-92-87(60-73)84-51-46-67-24-7-11-37-82(67)94(84)98-92)63-43-41-62(42-44-63)69-28-15-32-76(56-69)96(89-40-18-26-65-22-5-9-34-79(65)89)88-39-13-12-35-80(88)72-48-53-91-86(59-72)83-50-45-66-23-6-10-36-81(66)93(83)97-91/h1-60H.
What are the key properties of N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine?
N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine has a molecular weight of 1249.53 g/mol, XLogP of 27.04, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[4-(N-(3-naphthalen-1-ylphenyl)-3-phenylanilino)-3-naphtho[1,2-b][1]benzofuran-8-ylphenyl]phenyl]phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 174272949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).