9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine

C44H42N2 — CID 71228215

IUPAC9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
SMILESCCCCC1(CCC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C44H42N2/c1-3-5-31-44(30-4-2)42-32-38(45(34-18-10-6-11-19-34)35-20-12-7-13-21-35)26-28-40(42)41-29-27-39(33-43(41)44)46(36-22-14-8-15-23-36)37-24-16-9-17-25-37/h6-29,32-33H,3-5,30-31H2,1-2H3
InChIKeyLXCZOSGAPDWECS-UHFFFAOYSA-N
MW598.83 g/mol
LogP12.88
Rot. Bonds11

About 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine

9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine (PubChem CID 71228215) has the molecular formula C44H42N2 and a molecular weight of 598.83 g/mol. Its IUPAC name is 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine.

Molecular Properties

Compound Name9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
PubChem CID71228215
Molecular FormulaC44H42N2
Molecular Weight598.83 g/mol
Exact Mass598.33
IUPAC Name9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
SMILESCCCCC1(CCC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C44H42N2/c1-3-5-31-44(30-4-2)42-32-38(45(34-18-10-6-11-19-34)35-20-12-7-13-21-35)26-28-40(42)41-29-27-39(33-43(41)44)46(36-22-14-8-15-23-36)37-24-16-9-17-25-37/h6-29,32-33H,3-5,30-31H2,1-2H3
InChIKeyLXCZOSGAPDWECS-UHFFFAOYSA-N
XLogP12.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.83
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
9,9-dibutyl-7-[(E)-2-[4-[(E)-2-(9,9-dibutylfluoren-2-yl)ethenyl]phenyl]ethenyl]-N,N-diphenylfluoren-2-amine
CID 101407197
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 91666305
[9,9-dioctyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 86228244
2-bromo-1-[9,9-dibutyl-7-(N-phenylanilino)fluoren-2-yl]ethanone
CID 101453749
9,9-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
6,6,12,12-tetraoctyl-2-N,8-N-diphenyl-2-N,8-N-bis(1,1,3,3-tetramethyl-2H-inden-5-yl)indeno[1,2-b]fluorene-2,8-diamine
CID 154982044
2-N-[7-[5-[7-[bis[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]amino]-9,9-dihexylfluoren-2-yl]-1,3,4-oxadiazol-2-yl]-9,9-dihexylfluoren-2-yl]-2-N-[9,9-dihexyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-dihexyl-7-N,7-N-diphenylfluorene-2,7-diamine
CID 57384197

Frequently Asked Questions

What is the IUPAC name of 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine?
The IUPAC name of 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine (CID 71228215) is 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine.
What is the SMILES notation for 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine?
The canonical SMILES for 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine is CCCCC1(CCC)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine?
The InChIKey is LXCZOSGAPDWECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2/c1-3-5-31-44(30-4-2)42-32-38(45(34-18-10-6-11-19-34)35-20-12-7-13-21-35)26-28-40(42)41-29-27-39(33-43(41)44)46(36-22-14-8-15-23-36)37-24-16-9-17-25-37/h6-29,32-33H,3-5,30-31H2,1-2H3.
What are the key properties of 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine?
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine has a molecular weight of 598.83 g/mol, XLogP of 12.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine is sourced from PubChem (CID 71228215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).