N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine

C94H64N8 — CID 121444325

IUPACN,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4nc(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)c(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)nc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C94H64N8/c1-9-33-65(34-10-1)99(66-35-11-2-12-36-66)85-61-57-81(73-49-25-29-53-77(73)85)89-90(82-58-62-86(78-54-30-26-50-74(78)82)100(67-37-13-3-14-38-67)68-39-15-4-16-40-68)96-94-93(95-89)97-91(83-59-63-87(79-55-31-27-51-75(79)83)101(69-41-17-5-18-42-69)70-43-19-6-20-44-70)92(98-94)84-60-64-88(80-56-32-28-52-76(80)84)102(71-45-21-7-22-46-71)72-47-23-8-24-48-72/h1-64H
InChIKeyOFSJZDPJJPDRQO-UHFFFAOYSA-N
MW1305.60 g/mol
LogP25.58
Rot. Bonds16

About N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine

N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine (PubChem CID 121444325) has the molecular formula C94H64N8 and a molecular weight of 1305.60 g/mol. Its IUPAC name is N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine
PubChem CID121444325
Molecular FormulaC94H64N8
Molecular Weight1305.60 g/mol
Exact Mass1304.53
IUPAC NameN,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3nc4nc(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)c(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)nc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C94H64N8/c1-9-33-65(34-10-1)99(66-35-11-2-12-36-66)85-61-57-81(73-49-25-29-53-77(73)85)89-90(82-58-62-86(78-54-30-26-50-74(78)82)100(67-37-13-3-14-38-67)68-39-15-4-16-40-68)96-94-93(95-89)97-91(83-59-63-87(79-55-31-27-51-75(79)83)101(69-41-17-5-18-42-69)70-43-19-6-20-44-70)92(98-94)84-60-64-88(80-56-32-28-52-76(80)84)102(71-45-21-7-22-46-71)72-47-23-8-24-48-72/h1-64H
InChIKeyOFSJZDPJJPDRQO-UHFFFAOYSA-N
XLogP25.58
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001305.60
LogP ≤ 525.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine (CID 121444325) is N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine is c1ccc(N(c2ccccc2)c2ccc(-c3nc4nc(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)c(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)nc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine?
The InChIKey is OFSJZDPJJPDRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H64N8/c1-9-33-65(34-10-1)99(66-35-11-2-12-36-66)85-61-57-81(73-49-25-29-53-77(73)85)89-90(82-58-62-86(78-54-30-26-50-74(78)82)100(67-37-13-3-14-38-67)68-39-15-4-16-40-68)96-94-93(95-89)97-91(83-59-63-87(79-55-31-27-51-75(79)83)101(69-41-17-5-18-42-69)70-43-19-6-20-44-70)92(98-94)84-60-64-88(80-56-32-28-52-76(80)84)102(71-45-21-7-22-46-71)72-47-23-8-24-48-72/h1-64H.
What are the key properties of N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine?
N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine has a molecular weight of 1305.60 g/mol, XLogP of 25.58, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2,3,6-tris[4-(N-phenylanilino)naphthalen-1-yl]pyrazino[2,3-b]pyrazin-7-yl]naphthalen-1-amine is sourced from PubChem (CID 121444325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).