N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine

C61H48N14 — CID 59245940

IUPACN-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ncncn5)c5ncncn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ncncn5)c5ncncn5)ccc3-4)cc21
InChIInChI=1S/C61H48N14/c1-59(2)49-23-37(7-9-39-13-19-45-47-21-15-41(27-53(47)60(3,4)51(45)25-39)74(55-66-29-62-30-67-55)56-68-31-63-32-69-56)11-17-43(49)44-18-12-38(24-50(44)59)8-10-40-14-20-46-48-22-16-42(28-54(48)61(5,6)52(46)26-40)75(57-70-33-64-34-71-57)58-72-35-65-36-73-58/h7-36H,1-6H3/b9-7+,10-8+
InChIKeyKUHXSCGVXOAEOB-FIFLTTCUSA-N
MW977.15 g/mol
LogP12.63
Rot. Bonds10

About N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine

N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine (PubChem CID 59245940) has the molecular formula C61H48N14 and a molecular weight of 977.15 g/mol. Its IUPAC name is N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
PubChem CID59245940
Molecular FormulaC61H48N14
Molecular Weight977.15 g/mol
Exact Mass976.42
IUPAC NameN-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ncncn5)c5ncncn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ncncn5)c5ncncn5)ccc3-4)cc21
InChIInChI=1S/C61H48N14/c1-59(2)49-23-37(7-9-39-13-19-45-47-21-15-41(27-53(47)60(3,4)51(45)25-39)74(55-66-29-62-30-67-55)56-68-31-63-32-69-56)11-17-43(49)44-18-12-38(24-50(44)59)8-10-40-14-20-46-48-22-16-42(28-54(48)61(5,6)52(46)26-40)75(57-70-33-64-34-71-57)58-72-35-65-36-73-58/h7-36H,1-6H3/b9-7+,10-8+
InChIKeyKUHXSCGVXOAEOB-FIFLTTCUSA-N
XLogP12.63
TPSA161.16 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500977.15
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

7-[2-[4-[2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 91310997
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246175
N-[7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(N-pyridin-4-yl-4-trimethylsilylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(4-trimethylsilylphenyl)pyridin-4-amine
CID 59245955
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550
7-[(E)-2-[9,9-dimethyl-7-(N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074728
7-[(E)-2-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246385
N-(3,5-dimethylphenyl)-7-[(E)-2-[4-[(E)-2-[7-(N-(3,5-dimethylphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246124
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[6-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine
CID 59246519
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
7-[(E)-2-[9,9-dimethyl-7-(N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-phenylfluoren-2-amine
CID 89074664
7-[2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90878487
7-[(E)-2-[7-[(E)-2-[7-[bis(9,9-dimethylfluoren-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]ethenyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 59246429

Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine (CID 59245940) is N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ncncn5)c5ncncn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ncncn5)c5ncncn5)ccc3-4)cc21.
What is the InChIKey of N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is KUHXSCGVXOAEOB-FIFLTTCUSA-N. The full InChI is InChI=1S/C61H48N14/c1-59(2)49-23-37(7-9-39-13-19-45-47-21-15-41(27-53(47)60(3,4)51(45)25-39)74(55-66-29-62-30-67-55)56-68-31-63-32-69-56)11-17-43(49)44-18-12-38(24-50(44)59)8-10-40-14-20-46-48-22-16-42(28-54(48)61(5,6)52(46)26-40)75(57-70-33-64-34-71-57)58-72-35-65-36-73-58/h7-36H,1-6H3/b9-7+,10-8+.
What are the key properties of N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine?
N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 977.15 g/mol, XLogP of 12.63, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(E)-2-[7-[(E)-2-[7-[bis(1,3,5-triazin-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-(1,3,5-triazin-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 59245940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).