9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine

C44H48N2 — CID 102507465

IUPAC9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(/C=C/c3ccncc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C44H48N2/c1-3-5-7-15-29-44(30-16-8-6-4-2)42-33-36(22-21-35-27-31-45-32-28-35)23-25-40(42)41-26-24-39(34-43(41)44)46(37-17-11-9-12-18-37)38-19-13-10-14-20-38/h9-14,17-28,31-34H,3-8,15-16,29-30H2,1-2H3/b22-21+
InChIKeyWBFQIVOYGPXPMU-QURGRASLSA-N
MW604.88 g/mol
LogP12.93
Rot. Bonds15

About 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine

9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine (PubChem CID 102507465) has the molecular formula C44H48N2 and a molecular weight of 604.88 g/mol. Its IUPAC name is 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine
PubChem CID102507465
Molecular FormulaC44H48N2
Molecular Weight604.88 g/mol
Exact Mass604.38
IUPAC Name9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine
SMILESCCCCCCC1(CCCCCC)c2cc(/C=C/c3ccncc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C44H48N2/c1-3-5-7-15-29-44(30-16-8-6-4-2)42-33-36(22-21-35-27-31-45-32-28-35)23-25-40(42)41-26-24-39(34-43(41)44)46(37-17-11-9-12-18-37)38-19-13-10-14-20-38/h9-14,17-28,31-34H,3-8,15-16,29-30H2,1-2H3/b22-21+
InChIKeyWBFQIVOYGPXPMU-QURGRASLSA-N
XLogP12.93
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.88
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
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-didecyl-7-(N-phenylanilino)fluorene-2-carbaldehyde
CID 22723475
4-[(E)-2-[9,9-dihexyl-7-[(E)-2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethenyl]fluoren-2-yl]ethenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 102326993
2-N,7-N-bis(4-bromophenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 59533074
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
2-N,7-N-bis(3-methylphenyl)-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 102383960
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
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
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
4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]-N,N-bis[4-[(E)-2-[9,9-di(nonyl)-7-octylsulfonylfluoren-2-yl]ethenyl]phenyl]aniline
CID 139258639
[9,9-dioctyl-7-(N-phenylanilino)fluoren-2-yl]boronic acid
CID 86228244

Frequently Asked Questions

What is the IUPAC name of 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine?
The IUPAC name of 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine (CID 102507465) is 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine is CCCCCCC1(CCCCCC)c2cc(/C=C/c3ccncc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine?
The InChIKey is WBFQIVOYGPXPMU-QURGRASLSA-N. The full InChI is InChI=1S/C44H48N2/c1-3-5-7-15-29-44(30-16-8-6-4-2)42-33-36(22-21-35-27-31-45-32-28-35)23-25-40(42)41-26-24-39(34-43(41)44)46(37-17-11-9-12-18-37)38-19-13-10-14-20-38/h9-14,17-28,31-34H,3-8,15-16,29-30H2,1-2H3/b22-21+.
What are the key properties of 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine?
9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine has a molecular weight of 604.88 g/mol, XLogP of 12.93, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexyl-N,N-diphenyl-7-[(E)-2-pyridin-4-ylethenyl]fluoren-2-amine is sourced from PubChem (CID 102507465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).