N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine

C62H42N2O — CID 166917437

IUPACN-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5ccc(-c6ccc(N(c7ccccc7)c7cccc8c7oc7c9ccccc9ccc87)cc6)cc45)cc3)c2)cc1
InChIInChI=1S/C62H42N2O/c1-4-15-43(16-5-1)48-19-12-24-54(41-48)63(50-20-6-2-7-21-50)52-38-33-47(34-39-52)55-26-13-18-46-29-30-49(42-59(46)55)44-31-36-53(37-32-44)64(51-22-8-3-9-23-51)60-28-14-27-57-58-40-35-45-17-10-11-25-56(45)61(58)65-62(57)60/h1-42H
InChIKeyNHSMCUSJYRXLMU-UHFFFAOYSA-N
MW831.03 g/mol
LogP17.83
Rot. Bonds9

About N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine

N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 166917437) has the molecular formula C62H42N2O and a molecular weight of 831.03 g/mol. Its IUPAC name is N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
PubChem CID166917437
Molecular FormulaC62H42N2O
Molecular Weight831.03 g/mol
Exact Mass830.33
IUPAC NameN-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5ccc(-c6ccc(N(c7ccccc7)c7cccc8c7oc7c9ccccc9ccc87)cc6)cc45)cc3)c2)cc1
InChIInChI=1S/C62H42N2O/c1-4-15-43(16-5-1)48-19-12-24-54(41-48)63(50-20-6-2-7-21-50)52-38-33-47(34-39-52)55-26-13-18-46-29-30-49(42-59(46)55)44-31-36-53(37-32-44)64(51-22-8-3-9-23-51)60-28-14-27-57-58-40-35-45-17-10-11-25-56(45)61(58)65-62(57)60/h1-42H
InChIKeyNHSMCUSJYRXLMU-UHFFFAOYSA-N
XLogP17.83
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.03
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168803987
N,N-bis(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-3-(3-phenylphenyl)aniline
CID 170272186
N-(3-phenanthren-9-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 169007710
N-[4-(3,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-ylaniline
CID 174272400
N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 160941283
N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 167143783
4-N-naphtho[1,2-b][1]benzofuran-10-yl-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 170372536
N-(3,4-diphenylphenyl)-N-[3-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080706
N-(3-naphthalen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-8-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 174273092
8-N,10-N-diphenyl-8-N,10-N-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856374
N-(4-benzo[g]phenanthren-3-ylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167182004
8-N,10-N-diphenyl-8-N-(2-phenylphenyl)-10-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8,10-diamine
CID 166856399

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine (CID 166917437) is N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine is c1ccc(-c2cccc(N(c3ccccc3)c3ccc(-c4cccc5ccc(-c6ccc(N(c7ccccc7)c7cccc8c7oc7c9ccccc9ccc87)cc6)cc45)cc3)c2)cc1.
What is the InChIKey of N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is NHSMCUSJYRXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N2O/c1-4-15-43(16-5-1)48-19-12-24-54(41-48)63(50-20-6-2-7-21-50)52-38-33-47(34-39-52)55-26-13-18-46-29-30-49(42-59(46)55)44-31-36-53(37-32-44)64(51-22-8-3-9-23-51)60-28-14-27-57-58-40-35-45-17-10-11-25-56(45)61(58)65-62(57)60/h1-42H.
What are the key properties of N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine?
N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 831.03 g/mol, XLogP of 17.83, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[8-[4-(N-(3-phenylphenyl)anilino)phenyl]naphthalen-2-yl]phenyl]naphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 166917437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).