N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine

C44H41N — CID 177080014

IUPACN-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(CC)CC)cc21
InChIInChI=1S/C44H41N/c1-5-43(6-2)39-21-15-14-20-35(39)36-24-22-34(29-42(36)43)45(32-18-10-9-11-19-32)33-23-25-40-38(28-33)37-26-30-16-12-13-17-31(30)27-41(37)44(40,7-3)8-4/h9-29H,5-8H2,1-4H3
InChIKeyYZVIPIDXWRDMOC-UHFFFAOYSA-N
MW583.82 g/mol
LogP12.48
Rot. Bonds7

About N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine

N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine (PubChem CID 177080014) has the molecular formula C44H41N and a molecular weight of 583.82 g/mol. Its IUPAC name is N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine.

Molecular Properties

Compound NameN-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
PubChem CID177080014
Molecular FormulaC44H41N
Molecular Weight583.82 g/mol
Exact Mass583.32
IUPAC NameN-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
SMILESCCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(CC)CC)cc21
InChIInChI=1S/C44H41N/c1-5-43(6-2)39-21-15-14-20-35(39)36-24-22-34(29-42(36)43)45(32-18-10-9-11-19-32)33-23-25-40-38(28-33)37-26-30-16-12-13-17-31(30)27-41(37)44(40,7-3)8-4/h9-29H,5-8H2,1-4H3
InChIKeyYZVIPIDXWRDMOC-UHFFFAOYSA-N
XLogP12.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.82
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
N-(9,9-diethylfluoren-2-yl)-11,11-diphenyl-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080169
2-N',2-N',7-N',7-N'-tetrakis(9,9-diethylfluoren-2-yl)-2-N,2-N,7-N,7-N-tetraphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 121276321
9,9-diethyl-N-phenyl-N-[4-[[4-(N-phenylanilino)phenyl]methyl]phenyl]fluoren-3-amine
CID 168810437
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine
CID 177080145
N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine
CID 134215993
N,N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-amine
CID 134193979
N-(9,9-diphenylfluoren-3-yl)-11,11-diethyl-N-(2-phenylphenyl)benzo[b]fluoren-3-amine
CID 177080129
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
CID 177079923
N,N-bis(3,4-dimethylphenyl)-9,9-diethylfluoren-2-amine
CID 20685715
9,9-diethyl-7-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]-N,N-diphenylfluoren-2-amine
CID 142742012
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine?
The IUPAC name of N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine (CID 177080014) is N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine.
What is the SMILES notation for N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine?
The canonical SMILES for N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine is CCC1(CC)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3cc5ccccc5cc3C4(CC)CC)cc21.
What is the InChIKey of N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine?
The InChIKey is YZVIPIDXWRDMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H41N/c1-5-43(6-2)39-21-15-14-20-35(39)36-24-22-34(29-42(36)43)45(32-18-10-9-11-19-32)33-23-25-40-38(28-33)37-26-30-16-12-13-17-31(30)27-41(37)44(40,7-3)8-4/h9-29H,5-8H2,1-4H3.
What are the key properties of N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine?
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine has a molecular weight of 583.82 g/mol, XLogP of 12.48, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine is sourced from PubChem (CID 177080014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).