N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine

C54H48N4 — CID 130439968

IUPACN-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine
SMILESC=C(/N=C(\C)c1ccccc1)C1=CCCC(c2cccc3c2Cc2c(-c4cccc(-c5nc(C6=C(C)CCC=C6)nc(-c6ccccc6)n5)c4)cccc2C3(C)C)=C1
InChIInChI=1S/C54H48N4/c1-35-18-12-13-27-44(35)53-57-51(39-21-10-7-11-22-39)56-52(58-53)43-26-15-25-42(33-43)46-29-17-31-50-48(46)34-47-45(28-16-30-49(47)54(50,4)5)41-24-14-23-40(32-41)37(3)55-36(2)38-19-8-6-9-20-38/h6-11,13,15-17,19-23,25-33H,3,12,14,18,24,34H2,1-2,4-5H3/b55-36+
InChIKeyYZRHGEAFMBWFES-OHYRYVGRSA-N
MW753.01 g/mol
LogP13.35
Rot. Bonds8

About N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine

N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine (PubChem CID 130439968) has the molecular formula C54H48N4 and a molecular weight of 753.01 g/mol. Its IUPAC name is N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine
PubChem CID130439968
Molecular FormulaC54H48N4
Molecular Weight753.01 g/mol
Exact Mass752.39
IUPAC NameN-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine
SMILESC=C(/N=C(\C)c1ccccc1)C1=CCCC(c2cccc3c2Cc2c(-c4cccc(-c5nc(C6=C(C)CCC=C6)nc(-c6ccccc6)n5)c4)cccc2C3(C)C)=C1
InChIInChI=1S/C54H48N4/c1-35-18-12-13-27-44(35)53-57-51(39-21-10-7-11-22-39)56-52(58-53)43-26-15-25-42(33-43)46-29-17-31-50-48(46)34-47-45(28-16-30-49(47)54(50,4)5)41-24-14-23-40(32-41)37(3)55-36(2)38-19-8-6-9-20-38/h6-11,13,15-17,19-23,25-33H,3,12,14,18,24,34H2,1-2,4-5H3/b55-36+
InChIKeyYZRHGEAFMBWFES-OHYRYVGRSA-N
XLogP13.35
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.01
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine with MolForge

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Related Compounds

2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(8-phenyl-9H-fluoren-1-yl)-1,3,5-triazine
CID 118685409
2-[4-[8-(9,9-dimethylfluoren-3-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121241556
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine;2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]-1,3,5-triazine
CID 157184888
2-[3-(9,9-dimethyl-4-phenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155765149
2-[3-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292164
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 126543666
2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-[4-[8-(9,9-dimethylfluoren-2-yl)-9H-fluoren-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;methane
CID 159284999
2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 140946763
2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199149
2-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 134217925

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine?
The IUPAC name of N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine (CID 130439968) is N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine.
What is the SMILES notation for N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine?
The canonical SMILES for N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine is C=C(/N=C(\C)c1ccccc1)C1=CCCC(c2cccc3c2Cc2c(-c4cccc(-c5nc(C6=C(C)CCC=C6)nc(-c6ccccc6)n5)c4)cccc2C3(C)C)=C1.
What is the InChIKey of N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine?
The InChIKey is YZRHGEAFMBWFES-OHYRYVGRSA-N. The full InChI is InChI=1S/C54H48N4/c1-35-18-12-13-27-44(35)53-57-51(39-21-10-7-11-22-39)56-52(58-53)43-26-15-25-42(33-43)46-29-17-31-50-48(46)34-47-45(28-16-30-49(47)54(50,4)5)41-24-14-23-40(32-41)37(3)55-36(2)38-19-8-6-9-20-38/h6-11,13,15-17,19-23,25-33H,3,12,14,18,24,34H2,1-2,4-5H3/b55-36+.
What are the key properties of N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine?
N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine has a molecular weight of 753.01 g/mol, XLogP of 13.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[10,10-dimethyl-8-[3-[4-(2-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9H-anthracen-1-yl]cyclohexa-1,5-dien-1-yl]ethenyl]-1-phenylethanimine is sourced from PubChem (CID 130439968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).