7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine

C70H54N2 — CID 170652778

IUPAC7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2ccc(-c3nc4ccccc4cc3C3=CC=CCC3)cc21
InChIInChI=1S/C70H54N2/c1-68(2)60-29-17-15-27-53(60)55-37-33-51(43-64(55)68)72(52-34-38-56-54-28-16-18-30-62(54)70(65(56)44-52,48-23-10-6-11-24-48)49-25-12-7-13-26-49)50-35-39-61-59(42-50)57-36-32-47(41-63(57)69(61,3)4)67-58(45-20-8-5-9-21-45)40-46-22-14-19-31-66(46)71-67/h5-8,10-20,22-44H,9,21H2,1-4H3
InChIKeyNBNUETIAQBEQKU-UHFFFAOYSA-N
MW923.22 g/mol
LogP18.08
Rot. Bonds7

About 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine

7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 170652778) has the molecular formula C70H54N2 and a molecular weight of 923.22 g/mol. Its IUPAC name is 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound Name7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine
PubChem CID170652778
Molecular FormulaC70H54N2
Molecular Weight923.22 g/mol
Exact Mass922.43
IUPAC Name7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC1(C)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2ccc(-c3nc4ccccc4cc3C3=CC=CCC3)cc21
InChIInChI=1S/C70H54N2/c1-68(2)60-29-17-15-27-53(60)55-37-33-51(43-64(55)68)72(52-34-38-56-54-28-16-18-30-62(54)70(65(56)44-52,48-23-10-6-11-24-48)49-25-12-7-13-26-49)50-35-39-61-59(42-50)57-36-32-47(41-63(57)69(61,3)4)67-58(45-20-8-5-9-21-45)40-46-22-14-19-31-66(46)71-67/h5-8,10-20,22-44H,9,21H2,1-4H3
InChIKeyNBNUETIAQBEQKU-UHFFFAOYSA-N
XLogP18.08
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.22
LogP ≤ 518.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine with MolForge

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Related Compounds

N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
N,N,9,9-tetraphenyl-7-(3-phenylquinolin-2-yl)fluoren-3-amine
CID 170652844
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(3-phenylquinolin-2-yl)phenyl]fluoren-2-amine
CID 170652875
3-[4-[4-[N,4-bis(9,9-dimethylfluoren-2-yl)anilino]phenyl]phenyl]-N-[6-[7-[(9,9-diphenylfluoren-2-yl)-(9,9'-spirobi[fluorene]-2-yl)amino]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 139519919
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine
CID 146532637
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 155027615
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-1-N-[4-(4-phenylphenyl)phenyl]-4-N-[3-(3-phenylquinolin-2-yl)phenyl]benzene-1,4-diamine
CID 170653015
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327

Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine (CID 170652778) is 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine is CC1(C)c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2ccc(-c3nc4ccccc4cc3C3=CC=CCC3)cc21.
What is the InChIKey of 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is NBNUETIAQBEQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N2/c1-68(2)60-29-17-15-27-53(60)55-37-33-51(43-64(55)68)72(52-34-38-56-54-28-16-18-30-62(54)70(65(56)44-52,48-23-10-6-11-24-48)49-25-12-7-13-26-49)50-35-39-61-59(42-50)57-36-32-47(41-63(57)69(61,3)4)67-58(45-20-8-5-9-21-45)40-46-22-14-19-31-66(46)71-67/h5-8,10-20,22-44H,9,21H2,1-4H3.
What are the key properties of 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine?
7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 923.22 g/mol, XLogP of 18.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclohexa-1,3-dien-1-ylquinolin-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 170652778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).