N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine

C58H45N — CID 177080129

IUPACN-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCCC1(CC)c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C58H45N/c1-3-57(4-2)52-34-32-45(39-51(52)49-36-41-22-14-15-23-42(41)37-55(49)57)59(56-31-19-17-28-47(56)40-20-8-5-9-21-40)46-33-35-54-50(38-46)48-29-16-18-30-53(48)58(54,43-24-10-6-11-25-43)44-26-12-7-13-27-44/h5-39H,3-4H2,1-2H3
InChIKeyIEKPAYZSFICZRP-UHFFFAOYSA-N
MW756.01 g/mol
LogP15.43
Rot. Bonds8

About N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine

N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine (PubChem CID 177080129) has the molecular formula C58H45N and a molecular weight of 756.01 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine
PubChem CID177080129
Molecular FormulaC58H45N
Molecular Weight756.01 g/mol
Exact Mass755.36
IUPAC NameN-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine
SMILESCCC1(CC)c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc3)cc2-c2cc3ccccc3cc21
InChIInChI=1S/C58H45N/c1-3-57(4-2)52-34-32-45(39-51(52)49-36-41-22-14-15-23-42(41)37-55(49)57)59(56-31-19-17-28-47(56)40-20-8-5-9-21-40)46-33-35-54-50(38-46)48-29-16-18-30-53(48)58(54,43-24-10-6-11-25-43)44-26-12-7-13-27-44/h5-39H,3-4H2,1-2H3
InChIKeyIEKPAYZSFICZRP-UHFFFAOYSA-N
XLogP15.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.01
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080169
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-3-amine
CID 159359844
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N,N-bis(2-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]-10'-amine;N,N-bis(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]-10'-amine;N-(2-phenylphenyl)-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]-10'-amine;N-phenyl-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]-10'-amine
CID 160804380
4-N-(9,9-diphenylfluoren-3-yl)-1-N-phenyl-1-N-[3-(9-phenylfluoren-9-yl)phenyl]-4-N-[2-(4-phenylphenyl)phenyl]benzene-1,4-diamine
CID 155096728
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-3-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158470030
1-N-(9,9-diphenylfluoren-3-yl)-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-3-N-(2-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096776
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 134487972
N-(9,9-diphenylfluoren-3-yl)-9,9-dimethyl-1-phenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 167196964
11,11-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-8-amine;N-(2,4-diphenylphenyl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-8-amine;11,11-diphenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-8-amine
CID 157249194
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
N,9,9-triphenyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 155133254

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine (CID 177080129) is N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine is CCC1(CC)c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c3ccccc3-c3ccccc3)cc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine?
The InChIKey is IEKPAYZSFICZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N/c1-3-57(4-2)52-34-32-45(39-51(52)49-36-41-22-14-15-23-42(41)37-55(49)57)59(56-31-19-17-28-47(56)40-20-8-5-9-21-40)46-33-35-54-50(38-46)48-29-16-18-30-53(48)58(54,43-24-10-6-11-25-43)44-26-12-7-13-27-44/h5-39H,3-4H2,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine?
N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine has a molecular weight of 756.01 g/mol, XLogP of 15.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine is sourced from PubChem (CID 177080129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).