3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol

C33H26O2 — CID 90394313

IUPAC3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol
SMILESOCCCC1(CO)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C33H26O2/c34-18-4-17-33(20-35)29-8-2-1-7-26(29)27-15-13-24(19-30(27)33)25-14-11-23-10-9-21-5-3-6-22-12-16-28(25)32(23)31(21)22/h1-3,5-16,19,34-35H,4,17-18,20H2
InChIKeyOCWXHIFRJPUQPN-UHFFFAOYSA-N
MW454.57 g/mol
LogP7.28
Rot. Bonds5

About 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol

3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol (PubChem CID 90394313) has the molecular formula C33H26O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol.

Molecular Properties

Compound Name3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol
PubChem CID90394313
Molecular FormulaC33H26O2
Molecular Weight454.57 g/mol
Exact Mass454.19
IUPAC Name3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol
SMILESOCCCC1(CO)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C33H26O2/c34-18-4-17-33(20-35)29-8-2-1-7-26(29)27-15-13-24(19-30(27)33)25-14-11-23-10-9-21-5-3-6-22-12-16-28(25)32(23)31(21)22/h1-3,5-16,19,34-35H,4,17-18,20H2
InChIKeyOCWXHIFRJPUQPN-UHFFFAOYSA-N
XLogP7.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 57.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[2-[7-(7-tert-butylpyren-1-yl)-9,9-dimethylfluoren-2-yl]-9-(4-hydroxybutyl)fluoren-9-yl]butan-1-ol
CID 90400378
4-[9,9-bis(2-phenylethyl)-7-pyren-4-ylfluoren-2-yl]pyrene
CID 166060127
1-[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyrene
CID 123435588
6,6,12,12-tetramethyl-2-[6-(4-naphthalen-1-ylphenyl)pyren-1-yl]indeno[1,2-b]fluorene
CID 59390161
1-[9,9-dimethyl-7-(4-pyren-1-ylphenyl)fluoren-2-yl]-6-phenylpyrene
CID 156656858
1-[9-ethyl-7-(9-ethyl-9-methylfluoren-2-yl)-9-methylfluoren-2-yl]pyrene
CID 123656103
3-(9,9-dimethylfluoren-2-yl)-1,6-diphenylpyrene
CID 123577752
1-[3-phenyl-4-(4-pyren-1-ylphenyl)phenyl]pyrene
CID 59775997
1-[4-naphthalen-1-yl-3-(3-phenyl-4-pyren-1-ylphenyl)phenyl]pyrene
CID 169303234
1-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-(3-naphthalen-1-ylphenyl)pyrene
CID 170778639
1-(6-pyren-1-ylphenanthren-3-yl)pyrene
CID 142721789
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624

Frequently Asked Questions

What is the IUPAC name of 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol?
The IUPAC name of 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol (CID 90394313) is 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol.
What is the SMILES notation for 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol?
The canonical SMILES for 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol is OCCCC1(CO)c2ccccc2-c2ccc(-c3ccc4ccc5cccc6ccc3c4c56)cc21.
What is the InChIKey of 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol?
The InChIKey is OCWXHIFRJPUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O2/c34-18-4-17-33(20-35)29-8-2-1-7-26(29)27-15-13-24(19-30(27)33)25-14-11-23-10-9-21-5-3-6-22-12-16-28(25)32(23)31(21)22/h1-3,5-16,19,34-35H,4,17-18,20H2.
What are the key properties of 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol?
3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol has a molecular weight of 454.57 g/mol, XLogP of 7.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol is sourced from PubChem (CID 90394313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).