spiro[benzo[a]fluorene-11,9'-xanthene]

C29H18O — CID 135029450

IUPACspiro[benzo[a]fluorene-11,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/C29H18O/c1-2-10-20-19(9-1)17-18-22-21-11-3-4-12-23(21)29(28(20)22)24-13-5-7-15-26(24)30-27-16-8-6-14-25(27)29/h1-18H
InChIKeyDNVQZFOWWLBFRJ-UHFFFAOYSA-N
MW382.46 g/mol
LogP7.31
Rot. Bonds

About spiro[benzo[a]fluorene-11,9'-xanthene]

spiro[benzo[a]fluorene-11,9'-xanthene] (PubChem CID 135029450) has the molecular formula C29H18O and a molecular weight of 382.46 g/mol. Its IUPAC name is spiro[benzo[a]fluorene-11,9'-xanthene].

Molecular Properties

Compound Namespiro[benzo[a]fluorene-11,9'-xanthene]
PubChem CID135029450
Molecular FormulaC29H18O
Molecular Weight382.46 g/mol
Exact Mass382.14
IUPAC Namespiro[benzo[a]fluorene-11,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc3ccccc3c21
InChIInChI=1S/C29H18O/c1-2-10-20-19(9-1)17-18-22-21-11-3-4-12-23(21)29(28(20)22)24-13-5-7-15-26(24)30-27-16-8-6-14-25(27)29/h1-18H
InChIKeyDNVQZFOWWLBFRJ-UHFFFAOYSA-N
XLogP7.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[benzo[a]fluorene-11,9'-xanthene]?
The IUPAC name of spiro[benzo[a]fluorene-11,9'-xanthene] (CID 135029450) is spiro[benzo[a]fluorene-11,9'-xanthene].
What is the SMILES notation for spiro[benzo[a]fluorene-11,9'-xanthene]?
The canonical SMILES for spiro[benzo[a]fluorene-11,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc3ccccc3c21.
What is the InChIKey of spiro[benzo[a]fluorene-11,9'-xanthene]?
The InChIKey is DNVQZFOWWLBFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18O/c1-2-10-20-19(9-1)17-18-22-21-11-3-4-12-23(21)29(28(20)22)24-13-5-7-15-26(24)30-27-16-8-6-14-25(27)29/h1-18H.
What are the key properties of spiro[benzo[a]fluorene-11,9'-xanthene]?
spiro[benzo[a]fluorene-11,9'-xanthene] has a molecular weight of 382.46 g/mol, XLogP of 7.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[benzo[a]fluorene-11,9'-xanthene] is sourced from PubChem (CID 135029450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).