3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine

C31H32N2 — CID 102583704

IUPAC3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
SMILESNCCCC1(CCCN)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H32N2/c32-19-7-17-31(18-8-20-33)29-21-25(23-9-3-1-4-10-23)13-15-27(29)28-16-14-26(22-30(28)31)24-11-5-2-6-12-24/h1-6,9-16,21-22H,7-8,17-20,32-33H2
InChIKeyVLPIPXBMFSOCFD-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.76
Rot. Bonds8

About 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine

3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine (PubChem CID 102583704) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine.

Molecular Properties

Compound Name3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
PubChem CID102583704
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC Name3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine
SMILESNCCCC1(CCCN)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21
InChIInChI=1S/C31H32N2/c32-19-7-17-31(18-8-20-33)29-21-25(23-9-3-1-4-10-23)13-15-27(29)28-16-14-26(22-30(28)31)24-11-5-2-6-12-24/h1-6,9-16,21-22H,7-8,17-20,32-33H2
InChIKeyVLPIPXBMFSOCFD-UHFFFAOYSA-N
XLogP6.76
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425
3-[2,7-diphenyl-9-(3-phosphonopropyl)fluoren-9-yl]propylphosphonic acid
CID 102581615
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
9,9-bis(2-phenylethyl)-2,7-bis[3-(4-phenylphenyl)phenyl]fluorene
CID 166060136
2-phenyl-9,9-dipropylfluorene
CID 154114384
3-[9-[4-[9-(3-aminopropyl)fluoren-9-yl]butyl]fluoren-9-yl]propan-1-amine
CID 90136424
9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 121321489
2-[4-[9,9-dihexyl-7-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]fluoren-2-yl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 101441891
2-benzyl-7-[3-(7-benzyl-9,9-dibutylfluoren-2-yl)phenyl]-9,9-dibutylfluorene
CID 58251073
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine?
The IUPAC name of 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine (CID 102583704) is 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine.
What is the SMILES notation for 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine?
The canonical SMILES for 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine is NCCCC1(CCCN)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine?
The InChIKey is VLPIPXBMFSOCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c32-19-7-17-31(18-8-20-33)29-21-25(23-9-3-1-4-10-23)13-15-27(29)28-16-14-26(22-30(28)31)24-11-5-2-6-12-24/h1-6,9-16,21-22H,7-8,17-20,32-33H2.
What are the key properties of 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine?
3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine has a molecular weight of 432.61 g/mol, XLogP of 6.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-aminopropyl)-2,7-diphenylfluoren-9-yl]propan-1-amine is sourced from PubChem (CID 102583704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).