10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine

C98H62N6O3 — CID 167214852

IUPAC10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cccc5c(-c6ccc7c(c6)N(c6ccc(-c8nnc(-c9ccc(N%10c%11ccccc%11Oc%11ccccc%11%10)cc9)o8)cc6)c6ccccc6O7)cccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C98H62N6O3/c1-3-28-67(29-4-1)103(83-47-23-27-63-26-7-8-32-72(63)83)95-79-37-13-9-33-75(79)93(76-34-10-14-38-80(76)95)94-77-35-11-15-39-81(77)96(82-40-16-12-36-78(82)94)104(68-30-5-2-6-31-68)84-48-25-42-73-71(41-24-43-74(73)84)66-56-61-92-88(62-66)102(87-46-19-22-51-91(87)106-92)70-59-54-65(55-60-70)98-100-99-97(107-98)64-52-57-69(58-53-64)101-85-44-17-20-49-89(85)105-90-50-21-18-45-86(90)101/h1-62H
InChIKeyMNTCUPYAXXYMIX-UHFFFAOYSA-N
MW1371.61 g/mol
LogP27.75
Rot. Bonds12

About 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine

10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine (PubChem CID 167214852) has the molecular formula C98H62N6O3 and a molecular weight of 1371.61 g/mol. Its IUPAC name is 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine.

Molecular Properties

Compound Name10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine
PubChem CID167214852
Molecular FormulaC98H62N6O3
Molecular Weight1371.61 g/mol
Exact Mass1370.49
IUPAC Name10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine
SMILESc1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cccc5c(-c6ccc7c(c6)N(c6ccc(-c8nnc(-c9ccc(N%10c%11ccccc%11Oc%11ccccc%11%10)cc9)o8)cc6)c6ccccc6O7)cccc45)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C98H62N6O3/c1-3-28-67(29-4-1)103(83-47-23-27-63-26-7-8-32-72(63)83)95-79-37-13-9-33-75(79)93(76-34-10-14-38-80(76)95)94-77-35-11-15-39-81(77)96(82-40-16-12-36-78(82)94)104(68-30-5-2-6-31-68)84-48-25-42-73-71(41-24-43-74(73)84)66-56-61-92-88(62-66)102(87-46-19-22-51-91(87)106-92)70-59-54-65(55-60-70)98-100-99-97(107-98)64-52-57-69(58-53-64)101-85-44-17-20-49-89(85)105-90-50-21-18-45-86(90)101/h1-62H
InChIKeyMNTCUPYAXXYMIX-UHFFFAOYSA-N
XLogP27.75
TPSA70.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001371.61
LogP ≤ 527.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine with MolForge

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Related Compounds

2-[4-(3,6-dinaphthalen-1-ylcarbazol-9-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59445184
2-isoquinolin-5-yl-10-phenylphenoxazine
CID 122435685
1-N,5-N,5-N-triphenyl-1-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]naphthalene-1,5-diamine
CID 58903547
4-[10-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenoxazin-4-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
CID 146530417
9-[3-carbazol-9-yl-5-(5-carbazol-9-yl-3-pyridinyl)phenyl]carbazole;5-(4-carbazol-9-ylphenyl)-N,N-diphenylpyridin-3-amine;5-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-phenylpyridin-3-amine;10-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenoxazine
CID 160893113
4-(6,9-diphenylcarbazol-3-yl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;N-[4-(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;4-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline;N-phenyl-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158158334
10-phenyl-2,8-bis(6-phenyldibenzofuran-4-yl)phenoxazine
CID 126612218
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
N-naphthalen-1-yl-N-phenylpentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaen-13-amine
CID 23534512
4-[9-[3-[6-(3-carbazol-9-ylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazine
CID 142315334
2-[4-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 59500830
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509

Frequently Asked Questions

What is the IUPAC name of 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine?
The IUPAC name of 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine (CID 167214852) is 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine.
What is the SMILES notation for 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine?
The canonical SMILES for 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine is c1ccc(N(c2cccc3ccccc23)c2c3ccccc3c(-c3c4ccccc4c(N(c4ccccc4)c4cccc5c(-c6ccc7c(c6)N(c6ccc(-c8nnc(-c9ccc(N%10c%11ccccc%11Oc%11ccccc%11%10)cc9)o8)cc6)c6ccccc6O7)cccc45)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine?
The InChIKey is MNTCUPYAXXYMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H62N6O3/c1-3-28-67(29-4-1)103(83-47-23-27-63-26-7-8-32-72(63)83)95-79-37-13-9-33-75(79)93(76-34-10-14-38-80(76)95)94-77-35-11-15-39-81(77)96(82-40-16-12-36-78(82)94)104(68-30-5-2-6-31-68)84-48-25-42-73-71(41-24-43-74(73)84)66-56-61-92-88(62-66)102(87-46-19-22-51-91(87)106-92)70-59-54-65(55-60-70)98-100-99-97(107-98)64-52-57-69(58-53-64)101-85-44-17-20-49-89(85)105-90-50-21-18-45-86(90)101/h1-62H.
What are the key properties of 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine?
10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine has a molecular weight of 1371.61 g/mol, XLogP of 27.75, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(N-naphthalen-1-ylanilino)anthracen-9-yl]-N-[5-[10-[4-[5-(4-phenoxazin-10-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenoxazin-2-yl]naphthalen-1-yl]-N-phenylanthracen-9-amine is sourced from PubChem (CID 167214852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).