N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine

C42H37N9 — CID 130354701

IUPACN,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine
SMILESCc1c(C)c(N(c2ccc3ccccc3c2)c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)c(C)c(C)c1-c1cnc2nccnc2n1
InChIInChI=1S/C42H37N9/c1-22-26(5)37(27(6)23(2)35(22)33-20-47-39-41(49-33)45-17-15-43-39)51(32-14-13-30-11-9-10-12-31(30)19-32)38-28(7)24(3)36(25(4)29(38)8)34-21-48-40-42(50-34)46-18-16-44-40/h9-21H,1-8H3
InChIKeySMXLIVMIVQBEDT-UHFFFAOYSA-N
MW667.82 g/mol
LogP9.58
Rot. Bonds5

About N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine

N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine (PubChem CID 130354701) has the molecular formula C42H37N9 and a molecular weight of 667.82 g/mol. Its IUPAC name is N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine
PubChem CID130354701
Molecular FormulaC42H37N9
Molecular Weight667.82 g/mol
Exact Mass667.32
IUPAC NameN,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine
SMILESCc1c(C)c(N(c2ccc3ccccc3c2)c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)c(C)c(C)c1-c1cnc2nccnc2n1
InChIInChI=1S/C42H37N9/c1-22-26(5)37(27(6)23(2)35(22)33-20-47-39-41(49-33)45-17-15-43-39)51(32-14-13-30-11-9-10-12-31(30)19-32)38-28(7)24(3)36(25(4)29(38)8)34-21-48-40-42(50-34)46-18-16-44-40/h9-21H,1-8H3
InChIKeySMXLIVMIVQBEDT-UHFFFAOYSA-N
XLogP9.58
TPSA106.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.82
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-phenyl-N-(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine
CID 130353568
5,12-bis(3,5-dimethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)indolo[3,2-c]carbazole
CID 130353549
6-[9-[5-(dinaphthalen-2-ylamino)-2-pyridinyl]pyren-4-yl]-N,N-dinaphthalen-2-ylpyridin-3-amine
CID 134309409
N-(4-methylsulfanylphenyl)-N-phenylnaphthalen-2-amine
CID 70891422
N,N-bis(4-benzo[f][1,8]naphthyridin-3-ylphenyl)-7-naphthalen-2-ylphenanthren-2-amine
CID 170404500
N-naphthalen-2-yl-6-[2-[4-(N-naphthalen-2-ylanilino)phenyl]-3,4,5,6-tetraphenylphenyl]-N-phenylpyridin-3-amine
CID 102222161
6,7-dimethyl-5-N,8-N-diphenyl-5-N,8-N-bis[4-(N-phenylanilino)phenyl]quinoxaline-5,8-diamine
CID 58988982
7-naphthalen-2-yl-N,N-bis[4-([1,3]thiazolo[4,5-b]pyrazin-2-yl)phenyl]phenanthren-2-amine
CID 170404974
3-N,8-N-bis(4-methylphenyl)-3-N,8-N,5,10-tetranaphthalen-2-ylbenzo[g]isoquinoline-3,8-diamine
CID 70882523
10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
N-methyl-N-(2,3,5,6-tetramethylphenyl)naphthalen-2-amine
CID 163608925
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine?
The IUPAC name of N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine (CID 130354701) is N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine.
What is the SMILES notation for N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine?
The canonical SMILES for N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine is Cc1c(C)c(N(c2ccc3ccccc3c2)c2c(C)c(C)c(-c3cnc4nccnc4n3)c(C)c2C)c(C)c(C)c1-c1cnc2nccnc2n1.
What is the InChIKey of N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine?
The InChIKey is SMXLIVMIVQBEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37N9/c1-22-26(5)37(27(6)23(2)35(22)33-20-47-39-41(49-33)45-17-15-43-39)51(32-14-13-30-11-9-10-12-31(30)19-32)38-28(7)24(3)36(25(4)29(38)8)34-21-48-40-42(50-34)46-18-16-44-40/h9-21H,1-8H3.
What are the key properties of N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine?
N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine has a molecular weight of 667.82 g/mol, XLogP of 9.58, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,3,5,6-tetramethyl-4-pyrazino[2,3-b]pyrazin-3-ylphenyl)naphthalen-2-amine is sourced from PubChem (CID 130354701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).