N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine

C87H66N4 — CID 59246469

IUPACN-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6c5)c5nccc6ccccc56)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6c5)c5nccc6ccccc56)ccc3-4)cc21
InChIInChI=1S/C87H66N4/c1-85(2)77-47-55(23-25-57-29-39-73-75-41-35-67(53-81(75)86(3,4)79(73)49-57)90(65-33-31-59-15-7-9-19-63(59)51-65)83-69-21-13-11-17-61(69)43-45-88-83)27-37-71(77)72-38-28-56(48-78(72)85)24-26-58-30-40-74-76-42-36-68(54-82(76)87(5,6)80(74)50-58)91(66-34-32-60-16-8-10-20-64(60)52-66)84-70-22-14-12-18-62(70)44-46-89-84/h7-54H,1-6H3/b25-23+,26-24+
InChIKeyHWUCBJFIFOZIRY-OGGGYYITSA-N
MW1167.51 g/mol
LogP23.29
Rot. Bonds10

About N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine

N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine (PubChem CID 59246469) has the molecular formula C87H66N4 and a molecular weight of 1167.51 g/mol. Its IUPAC name is N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine
PubChem CID59246469
Molecular FormulaC87H66N4
Molecular Weight1167.51 g/mol
Exact Mass1166.53
IUPAC NameN-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6c5)c5nccc6ccccc56)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6c5)c5nccc6ccccc56)ccc3-4)cc21
InChIInChI=1S/C87H66N4/c1-85(2)77-47-55(23-25-57-29-39-73-75-41-35-67(53-81(75)86(3,4)79(73)49-57)90(65-33-31-59-15-7-9-19-63(59)51-65)83-69-21-13-11-17-61(69)43-45-88-83)27-37-71(77)72-38-28-56(48-78(72)85)24-26-58-30-40-74-76-42-36-68(54-82(76)87(5,6)80(74)50-58)91(66-34-32-60-16-8-10-20-64(60)52-66)84-70-22-14-12-18-62(70)44-46-89-84/h7-54H,1-6H3/b25-23+,26-24+
InChIKeyHWUCBJFIFOZIRY-OGGGYYITSA-N
XLogP23.29
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001167.51
LogP ≤ 523.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine with MolForge

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Related Compounds

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
7-[(E)-2-[4-[(E)-2-[9,9-dimethyl-7-[naphthalen-1-yl(naphthalen-2-yl)amino]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethyl-N-naphthalen-1-yl-N-naphthalen-2-ylfluoren-2-amine
CID 59246200
7-[(E)-2-[4-[4-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 59246115
7-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-yl-4-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89067755
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(3-methylphenyl)-N-naphthalen-2-ylfluoren-2-amine
CID 59246107
9,9-dimethyl-7-[(E)-2-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 89067733
7-[(E)-2-[7-(4-tert-butyl-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 89074720
N-(3,5-dimethylphenyl)-9,9-dimethyl-N-naphthalen-2-yl-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89067686
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-naphthalen-1-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59246492
N,N-bis(3,5-dimethylphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-amine;7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine;7-[(E)-2-[10-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]anthracen-9-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[(E)-2-[7-[(E)-2-[7-(dinaphthalen-2-ylamino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-dinaphthalen-2-ylfluoren-2-amine
CID 158982292
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
7-[(E)-2-[2-[(E)-2-[9,9-dimethyl-7-(N-naphthalen-2-ylanilino)fluoren-2-yl]ethenyl]-5-phenylbenzo[b]phosphindol-8-yl]ethenyl]-9,9-dimethyl-N-naphthalen-2-yl-N-phenylfluoren-2-amine
CID 59245924

Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine?
The IUPAC name of N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine (CID 59246469) is N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine.
What is the SMILES notation for N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine?
The canonical SMILES for N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6c5)c5nccc6ccccc56)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc6ccccc6c5)c5nccc6ccccc56)ccc3-4)cc21.
What is the InChIKey of N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine?
The InChIKey is HWUCBJFIFOZIRY-OGGGYYITSA-N. The full InChI is InChI=1S/C87H66N4/c1-85(2)77-47-55(23-25-57-29-39-73-75-41-35-67(53-81(75)86(3,4)79(73)49-57)90(65-33-31-59-15-7-9-19-63(59)51-65)83-69-21-13-11-17-61(69)43-45-88-83)27-37-71(77)72-38-28-56(48-78(72)85)24-26-58-30-40-74-76-42-36-68(54-82(76)87(5,6)80(74)50-58)91(66-34-32-60-16-8-10-20-64(60)52-66)84-70-22-14-12-18-62(70)44-46-89-84/h7-54H,1-6H3/b25-23+,26-24+.
What are the key properties of N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine?
N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine has a molecular weight of 1167.51 g/mol, XLogP of 23.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(E)-2-[7-[(E)-2-[7-[isoquinolin-1-yl(naphthalen-2-yl)amino]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-N-naphthalen-2-ylisoquinolin-1-amine is sourced from PubChem (CID 59246469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).