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

C43H39N — CID 177080145

IUPACN-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine
SMILESCCC1(CC)c2cc(N(c3cccc(C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C43H39N/c1-6-43(7-2)40-25-30-15-9-8-14-29(30)24-37(40)36-22-20-33(27-41(36)43)44(31-16-12-13-28(3)23-31)32-19-21-35-34-17-10-11-18-38(34)42(4,5)39(35)26-32/h8-27H,6-7H2,1-5H3
InChIKeyRDJIAURDFYKTFN-UHFFFAOYSA-N
MW569.79 g/mol
LogP12.01
Rot. Bonds5

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

N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine (PubChem CID 177080145) has the molecular formula C43H39N and a molecular weight of 569.79 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine
PubChem CID177080145
Molecular FormulaC43H39N
Molecular Weight569.79 g/mol
Exact Mass569.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine
SMILESCCC1(CC)c2cc(N(c3cccc(C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2cc3ccccc3cc21
InChIInChI=1S/C43H39N/c1-6-43(7-2)40-25-30-15-9-8-14-29(30)24-37(40)36-22-20-33(27-41(36)43)44(31-16-12-13-28(3)23-31)32-19-21-35-34-17-10-11-18-38(34)42(4,5)39(35)26-32/h8-27H,6-7H2,1-5H3
InChIKeyRDJIAURDFYKTFN-UHFFFAOYSA-N
XLogP12.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.79
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-naphthalen-1-ylbenzo[b]fluoren-2-amine
CID 177079923
N-(9,9-diethylfluoren-2-yl)-11,11-diethyl-N-phenylbenzo[b]fluoren-3-amine
CID 177080014
N-(9,9-diphenylfluoren-2-yl)-12,12-dimethyl-N-(3-methylphenyl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
CID 130290189
N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(3-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-methylphenyl)-7-(4-phenylphenyl)fluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-phenyl-7-(4-phenylphenyl)fluoren-2-amine
CID 162180969
11-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-N,N,11-triphenylbenzo[b]fluoren-2-amine
CID 118145932
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(6-methylnaphthalen-2-yl)fluoren-2-amine
CID 146644241
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-methylphenyl)-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 90693832
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine (CID 177080145) is N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine is CCC1(CC)c2cc(N(c3cccc(C)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)ccc2-c2cc3ccccc3cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine?
The InChIKey is RDJIAURDFYKTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H39N/c1-6-43(7-2)40-25-30-15-9-8-14-29(30)24-37(40)36-22-20-33(27-41(36)43)44(31-16-12-13-28(3)23-31)32-19-21-35-34-17-10-11-18-38(34)42(4,5)39(35)26-32/h8-27H,6-7H2,1-5H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine has a molecular weight of 569.79 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-11,11-diethyl-N-(3-methylphenyl)benzo[b]fluoren-2-amine is sourced from PubChem (CID 177080145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).