azane;hexakis(9H-fluorene)

C78H63N — CID 158472914

IUPACazane;hexakis(9H-fluorene)
SMILESN.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/6C13H10.H3N/c6*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h6*1-8H,9H2;1H3
InChIKeyDULLGDZWCBTTLK-UHFFFAOYSA-N
MW1014.37 g/mol
LogP19.71
Rot. Bonds

About azane;hexakis(9H-fluorene)

azane;hexakis(9H-fluorene) (PubChem CID 158472914) has the molecular formula C78H63N and a molecular weight of 1014.37 g/mol. Its IUPAC name is azane;hexakis(9H-fluorene).

Molecular Properties

Compound Nameazane;hexakis(9H-fluorene)
PubChem CID158472914
Molecular FormulaC78H63N
Molecular Weight1014.37 g/mol
Exact Mass1013.50
IUPAC Nameazane;hexakis(9H-fluorene)
SMILESN.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/6C13H10.H3N/c6*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h6*1-8H,9H2;1H3
InChIKeyDULLGDZWCBTTLK-UHFFFAOYSA-N
XLogP19.71
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.37
LogP ≤ 519.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174352852
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CID 175337736
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chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499
ethene;9H-fluorene
CID 159544077
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
9H-fluorene;oxozirconium
CID 174355249
9H-fluorene;oxophosphane
CID 174601741
bis(9H-fluorene);azide
CID 22003430
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
dichlorotitanium;9H-fluorene
CID 174396064

Frequently Asked Questions

What is the IUPAC name of azane;hexakis(9H-fluorene)?
The IUPAC name of azane;hexakis(9H-fluorene) (CID 158472914) is azane;hexakis(9H-fluorene).
What is the SMILES notation for azane;hexakis(9H-fluorene)?
The canonical SMILES for azane;hexakis(9H-fluorene) is N.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of azane;hexakis(9H-fluorene)?
The InChIKey is DULLGDZWCBTTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/6C13H10.H3N/c6*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h6*1-8H,9H2;1H3.
What are the key properties of azane;hexakis(9H-fluorene)?
azane;hexakis(9H-fluorene) has a molecular weight of 1014.37 g/mol, XLogP of 19.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexakis(9H-fluorene) is sourced from PubChem (CID 158472914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).