N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine

C56H41N — CID 138601435

IUPACN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C56H41N/c1-55(2)52-35-41-19-13-12-18-40(41)34-50(52)49-33-31-45(36-53(49)55)57(44-28-26-39(27-29-44)38-16-6-3-7-17-38)46-30-32-48-47-24-14-15-25-51(47)56(54(48)37-46,42-20-8-4-9-21-42)43-22-10-5-11-23-43/h3-37H,1-2H3
InChIKeyJGGHXCZUAXDELA-UHFFFAOYSA-N
MW727.95 g/mol
LogP14.65
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine

N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine (PubChem CID 138601435) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
PubChem CID138601435
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C56H41N/c1-55(2)52-35-41-19-13-12-18-40(41)34-50(52)49-33-31-45(36-53(49)55)57(44-28-26-39(27-29-44)38-16-6-3-7-17-38)46-30-32-48-47-24-14-15-25-51(47)56(54(48)37-46,42-20-8-4-9-21-42)43-22-10-5-11-23-43/h3-37H,1-2H3
InChIKeyJGGHXCZUAXDELA-UHFFFAOYSA-N
XLogP14.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
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-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-7-naphthalen-2-yl-N-(4-phenylphenyl)fluoren-2-amine
CID 126548455
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 166565951
9,9-dimethyl-N-[4-(4-naphthalen-2-ylphenyl)-3-phenylphenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 159227060
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine (CID 138601435) is N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
The InChIKey is JGGHXCZUAXDELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N/c1-55(2)52-35-41-19-13-12-18-40(41)34-50(52)49-33-31-45(36-53(49)55)57(44-28-26-39(27-29-44)38-16-6-3-7-17-38)46-30-32-48-47-24-14-15-25-51(47)56(54(48)37-46,42-20-8-4-9-21-42)43-22-10-5-11-23-43/h3-37H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine?
N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine has a molecular weight of 727.95 g/mol, XLogP of 14.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine is sourced from PubChem (CID 138601435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).