3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol

C29H28O2 — CID 176887574

IUPAC3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol
SMILESOCCCC1(CCCO)c2ccccc2-c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C29H28O2/c30-19-7-17-29(18-8-20-31)26-15-4-3-12-25(26)28-24(14-6-16-27(28)29)23-13-5-10-21-9-1-2-11-22(21)23/h1-6,9-16,30-31H,7-8,17-20H2
InChIKeyCZCGGHQHRKHIKB-UHFFFAOYSA-N
MW408.54 g/mol
LogP6.32
Rot. Bonds7

About 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol

3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol (PubChem CID 176887574) has the molecular formula C29H28O2 and a molecular weight of 408.54 g/mol. Its IUPAC name is 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol.

Molecular Properties

Compound Name3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol
PubChem CID176887574
Molecular FormulaC29H28O2
Molecular Weight408.54 g/mol
Exact Mass408.21
IUPAC Name3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol
SMILESOCCCC1(CCCO)c2ccccc2-c2c(-c3cccc4ccccc34)cccc21
InChIInChI=1S/C29H28O2/c30-19-7-17-29(18-8-20-31)26-15-4-3-12-25(26)28-24(14-6-16-27(28)29)23-13-5-10-21-9-1-2-11-22(21)23/h1-6,9-16,30-31H,7-8,17-20H2
InChIKeyCZCGGHQHRKHIKB-UHFFFAOYSA-N
XLogP6.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dioctylbenzo[c]fluorene
CID 59595496
3-[9-(hydroxymethyl)-2-pyren-1-ylfluoren-9-yl]propan-1-ol
CID 90394313
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
CID 175282704
CID 175282704
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
3-[2-[2-[[9-(3-hydroxypropyl)fluoren-9-yl]methyl]phenyl]phenyl]propan-1-ol
CID 118345007
1-naphthalen-1-ylnaphthalene;phenol
CID 174330284
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 144608460
2-[6-[9-[6-(2-hydroxyethoxy)naphthalen-2-yl]-4,5-dinaphthalen-1-ylfluoren-9-yl]naphthalen-2-yl]oxyethanol
CID 142536387

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol?
The IUPAC name of 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol (CID 176887574) is 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol.
What is the SMILES notation for 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol?
The canonical SMILES for 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol is OCCCC1(CCCO)c2ccccc2-c2c(-c3cccc4ccccc34)cccc21.
What is the InChIKey of 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol?
The InChIKey is CZCGGHQHRKHIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2/c30-19-7-17-29(18-8-20-31)26-15-4-3-12-25(26)28-24(14-6-16-27(28)29)23-13-5-10-21-9-1-2-11-22(21)23/h1-6,9-16,30-31H,7-8,17-20H2.
What are the key properties of 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol?
3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol has a molecular weight of 408.54 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-hydroxypropyl)-4-naphthalen-1-ylfluoren-9-yl]propan-1-ol is sourced from PubChem (CID 176887574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).