N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline

C90H60N2O — CID 167086919

IUPACN-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc(-c7ccc(-c8ccccc8)c8oc9ccccc9c78)cc6)c5)c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C90H60N2O/c1-3-19-63(20-4-1)81-54-55-82(86-32-12-11-31-85(81)86)67-42-50-75(51-43-67)92(74-48-40-66(41-49-74)80-34-17-25-64-23-9-10-30-79(64)80)78-29-16-27-71(60-78)70-26-15-28-77(59-70)91(73-46-38-62(39-47-73)72-37-36-61-18-7-8-24-69(61)58-72)76-52-44-68(45-53-76)83-56-57-84(65-21-5-2-6-22-65)90-89(83)87-33-13-14-35-88(87)93-90/h1-60H
InChIKeyQQIOLDHCWVOUPE-UHFFFAOYSA-N
MW1185.48 g/mol
LogP25.65
Rot. Bonds13

About N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline

N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline (PubChem CID 167086919) has the molecular formula C90H60N2O and a molecular weight of 1185.48 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
PubChem CID167086919
Molecular FormulaC90H60N2O
Molecular Weight1185.48 g/mol
Exact Mass1184.47
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc(-c7ccc(-c8ccccc8)c8oc9ccccc9c78)cc6)c5)c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C90H60N2O/c1-3-19-63(20-4-1)81-54-55-82(86-32-12-11-31-85(81)86)67-42-50-75(51-43-67)92(74-48-40-66(41-49-74)80-34-17-25-64-23-9-10-30-79(64)80)78-29-16-27-71(60-78)70-26-15-28-77(59-70)91(73-46-38-62(39-47-73)72-37-36-61-18-7-8-24-69(61)58-72)76-52-44-68(45-53-76)83-56-57-84(65-21-5-2-6-22-65)90-89(83)87-33-13-14-35-88(87)93-90/h1-60H
InChIKeyQQIOLDHCWVOUPE-UHFFFAOYSA-N
XLogP25.65
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001185.48
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline with MolForge

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Related Compounds

4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069338
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820582
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
N-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
4-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[3-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069235
N-(3-dibenzofuran-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)aniline
CID 176810248
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-(4-phenanthren-1-ylphenyl)aniline
CID 176810245
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline (CID 167086919) is N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc(-c7ccc(-c8ccccc8)c8oc9ccccc9c78)cc6)c5)c4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
The InChIKey is QQIOLDHCWVOUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N2O/c1-3-19-63(20-4-1)81-54-55-82(86-32-12-11-31-85(81)86)67-42-50-75(51-43-67)92(74-48-40-66(41-49-74)80-34-17-25-64-23-9-10-30-79(64)80)78-29-16-27-71(60-78)70-26-15-28-77(59-70)91(73-46-38-62(39-47-73)72-37-36-61-18-7-8-24-69(61)58-72)76-52-44-68(45-53-76)83-56-57-84(65-21-5-2-6-22-65)90-89(83)87-33-13-14-35-88(87)93-90/h1-60H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline?
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline has a molecular weight of 1185.48 g/mol, XLogP of 25.65, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline is sourced from PubChem (CID 167086919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).