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

C45H36N2 — CID 146532521

IUPACN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)nc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)cc21
InChIInChI=1S/C45H36N2/c1-44(2)39-17-11-10-16-35(39)36-21-18-33(27-42(36)44)47(34-20-23-43(46-28-34)29-12-6-5-7-13-29)32-19-22-40-38(26-32)37-24-30-14-8-9-15-31(30)25-41(37)45(40,3)4/h5-28H,1-4H3
InChIKeyXDQWELBFXFRFBH-UHFFFAOYSA-N
MW604.80 g/mol
LogP11.98
Rot. Bonds4

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

N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine (PubChem CID 146532521) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine.

Molecular Properties

Compound NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine
PubChem CID146532521
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC NameN-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)nc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)cc21
InChIInChI=1S/C45H36N2/c1-44(2)39-17-11-10-16-35(39)36-21-18-33(27-42(36)44)47(34-20-23-43(46-28-34)29-12-6-5-7-13-29)32-19-22-40-38(26-32)37-24-30-14-8-9-15-31(30)25-41(37)45(40,3)4/h5-28H,1-4H3
InChIKeyXDQWELBFXFRFBH-UHFFFAOYSA-N
XLogP11.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 511.98
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-diphenylfluoren-2-yl)-6-phenylpyridin-3-amine
CID 146532637
N-(11,11-dimethylbenzo[a]fluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine;N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
CID 159039363
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
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-(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-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 154972869
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-phenylfluoren-3-amine
CID 169039545
N-(9,9-dimethylfluoren-2-yl)-2'-phenyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 129259092
3-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N,3-N-triphenyl-5-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286735

Frequently Asked Questions

What is the IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine?
The IUPAC name of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine (CID 146532521) is N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine.
What is the SMILES notation for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine?
The canonical SMILES for N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)nc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(C)C)cc21.
What is the InChIKey of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine?
The InChIKey is XDQWELBFXFRFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-44(2)39-17-11-10-16-35(39)36-21-18-33(27-42(36)44)47(34-20-23-43(46-28-34)29-12-6-5-7-13-29)32-19-22-40-38(26-32)37-24-30-14-8-9-15-31(30)25-41(37)45(40,3)4/h5-28H,1-4H3.
What are the key properties of N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine?
N-(11,11-dimethylbenzo[b]fluoren-3-yl)-N-(9,9-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine has a molecular weight of 604.80 g/mol, XLogP of 11.98, 4 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-dimethylfluoren-2-yl)-6-phenylpyridin-3-amine is sourced from PubChem (CID 146532521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).