N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine

C55H40N2 — CID 146532637

IUPACN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)nc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C55H40N2/c1-54(2)49-30-27-42(34-48(49)47-32-38-18-12-13-19-39(38)33-51(47)54)57(44-28-31-53(56-36-44)37-16-6-3-7-17-37)43-26-29-46-45-24-14-15-25-50(45)55(52(46)35-43,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-36H,1-2H3
InChIKeySJFNTHQWILOHND-UHFFFAOYSA-N
MW728.94 g/mol
LogP14.04
Rot. Bonds6

About N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine

N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine (PubChem CID 146532637) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine
PubChem CID146532637
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine
SMILESCC1(C)c2ccc(N(c3ccc(-c4ccccc4)nc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C55H40N2/c1-54(2)49-30-27-42(34-48(49)47-32-38-18-12-13-19-39(38)33-51(47)54)57(44-28-31-53(56-36-44)37-16-6-3-7-17-37)43-26-29-46-45-24-14-15-25-50(45)55(52(46)35-43,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-36H,1-2H3
InChIKeySJFNTHQWILOHND-UHFFFAOYSA-N
XLogP14.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine
CID 146532521
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 138601435
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-ylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(3-naphthalen-2-yl-5-phenylphenyl)benzo[b]fluoren-3-amine;N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-[4-(2-phenylphenyl)phenyl]benzo[b]fluoren-3-amine
CID 158615846
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462501
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130462474
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
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
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

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine?
The IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine (CID 146532637) is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine is CC1(C)c2ccc(N(c3ccc(-c4ccccc4)nc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine?
The InChIKey is SJFNTHQWILOHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N2/c1-54(2)49-30-27-42(34-48(49)47-32-38-18-12-13-19-39(38)33-51(47)54)57(44-28-31-53(56-36-44)37-16-6-3-7-17-37)43-26-29-46-45-24-14-15-25-50(45)55(52(46)35-43,40-20-8-4-9-21-40)41-22-10-5-11-23-41/h3-36H,1-2H3.
What are the key properties of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine?
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine has a molecular weight of 728.94 g/mol, XLogP of 14.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine is sourced from PubChem (CID 146532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).