N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine

C45H41N3 — CID 177073728

IUPACN-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine
SMILESCc1cc(C)c(C(c2ccc(N(c3cnc(-c4ccccc4)cn3)c3cccc4ccccc34)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C45H41N3/c1-29-23-31(3)43(32(4)24-29)45(44-33(5)25-30(2)26-34(44)6)37-19-21-38(22-20-37)48(41-18-12-16-35-13-10-11-17-39(35)41)42-28-46-40(27-47-42)36-14-8-7-9-15-36/h7-28,45H,1-6H3
InChIKeyXAVRYYCYTPEYQR-UHFFFAOYSA-N
MW623.84 g/mol
LogP11.80
Rot. Bonds7

About N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine (PubChem CID 177073728) has the molecular formula C45H41N3 and a molecular weight of 623.84 g/mol. Its IUPAC name is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine.

Molecular Properties

Compound NameN-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine
PubChem CID177073728
Molecular FormulaC45H41N3
Molecular Weight623.84 g/mol
Exact Mass623.33
IUPAC NameN-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine
SMILESCc1cc(C)c(C(c2ccc(N(c3cnc(-c4ccccc4)cn3)c3cccc4ccccc34)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C45H41N3/c1-29-23-31(3)43(32(4)24-29)45(44-33(5)25-30(2)26-34(44)6)37-19-21-38(22-20-37)48(41-18-12-16-35-13-10-11-17-39(35)41)42-28-46-40(27-47-42)36-14-8-7-9-15-36/h7-28,45H,1-6H3
InChIKeyXAVRYYCYTPEYQR-UHFFFAOYSA-N
XLogP11.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(2,6-diphenylpyrimidin-4-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine
CID 177073823
N-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-5-phenyl-N-(1-phenylnaphthalen-2-yl)pyrazin-2-amine
CID 177074093
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-(1-phenylnaphthalen-2-yl)-1,3,5-triazin-2-amine
CID 177074442
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-naphthalen-1-yl-6-phenyl-N-[4-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 177074111
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-amine
CID 177073961
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-(3-pyrazin-2-ylphenyl)naphthalen-2-amine
CID 177073886
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N,4,6-tris(2-phenylphenyl)-1,3,5-triazin-2-amine
CID 177074332
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-2-yl-2-phenylpyrimidin-4-amine
CID 177073592
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4,6-diphenyl-N-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-1,3,5-triazin-2-amine
CID 177073755
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-phenyl-6-(1-phenylnaphthalen-2-yl)-N-[4-phenyl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-amine
CID 177073673
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-4-(3,5-diphenylphenyl)-N-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-amine
CID 177074300
N-(2-methylphenyl)-N-[4-[5-[4-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]phenyl]naphthalen-1-amine
CID 90198454

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
The IUPAC name of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine (CID 177073728) is N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine.
What is the SMILES notation for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
The canonical SMILES for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine is Cc1cc(C)c(C(c2ccc(N(c3cnc(-c4ccccc4)cn3)c3cccc4ccccc34)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
The InChIKey is XAVRYYCYTPEYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H41N3/c1-29-23-31(3)43(32(4)24-29)45(44-33(5)25-30(2)26-34(44)6)37-19-21-38(22-20-37)48(41-18-12-16-35-13-10-11-17-39(35)41)42-28-46-40(27-47-42)36-14-8-7-9-15-36/h7-28,45H,1-6H3.
What are the key properties of N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine?
N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine has a molecular weight of 623.84 g/mol, XLogP of 11.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis(2,4,6-trimethylphenyl)methyl]phenyl]-N-naphthalen-1-yl-5-phenylpyrazin-2-amine is sourced from PubChem (CID 177073728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).