N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine

C55H42N2 — CID 170143243

IUPACN-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(c4-5)C=CCC6)nc3)cc21
InChIInChI=1S/C55H42N2/c1-54(2)48-25-15-14-24-45(48)46-31-28-42(35-50(46)54)57(41-21-10-5-11-22-41)43-29-33-52(56-36-43)38-26-30-47-51(34-38)55(39-17-6-3-7-18-39,40-19-8-4-9-20-40)49-32-27-37-16-12-13-23-44(37)53(47)49/h3-11,13-15,17-36H,12,16H2,1-2H3
InChIKeyGITNJCLUWNURIT-UHFFFAOYSA-N
MW730.96 g/mol
LogP13.85
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine

N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine (PubChem CID 170143243) has the molecular formula C55H42N2 and a molecular weight of 730.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine
PubChem CID170143243
Molecular FormulaC55H42N2
Molecular Weight730.96 g/mol
Exact Mass730.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(c4-5)C=CCC6)nc3)cc21
InChIInChI=1S/C55H42N2/c1-54(2)48-25-15-14-24-45(48)46-31-28-42(35-50(46)54)57(41-21-10-5-11-22-41)43-29-33-52(56-36-43)38-26-30-47-51(34-38)55(39-17-6-3-7-18-39,40-19-8-4-9-20-40)49-32-27-37-16-12-13-23-44(37)53(47)49/h3-11,13-15,17-36H,12,16H2,1-2H3
InChIKeyGITNJCLUWNURIT-UHFFFAOYSA-N
XLogP13.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.96
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 126548607
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine
CID 146532637
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N-(9,9-dimethylfluoren-2-yl)-7-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,9-diphenyl-9-(4-phenylphenyl)fluoren-4-amine
CID 163582433
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193177
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-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 146364220

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine (CID 170143243) is N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccc6c(c4-5)C=CCC6)nc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine?
The InChIKey is GITNJCLUWNURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-54(2)48-25-15-14-24-45(48)46-31-28-42(35-50(46)54)57(41-21-10-5-11-22-41)43-29-33-52(56-36-43)38-26-30-47-51(34-38)55(39-17-6-3-7-18-39,40-19-8-4-9-20-40)49-32-27-37-16-12-13-23-44(37)53(47)49/h3-11,13-15,17-36H,12,16H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine?
N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine has a molecular weight of 730.96 g/mol, XLogP of 13.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-(7,7-diphenyl-3,4-dihydrobenzo[g]fluoren-9-yl)-N-phenylpyridin-3-amine is sourced from PubChem (CID 170143243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).