4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]

C29H16BrClO — CID 163284705

IUPAC4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
SMILESClc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c1ccc1c(Br)cccc21
InChIInChI=1S/C29H16BrClO/c30-25-10-5-7-19-18(25)13-15-24-28(19)20-6-1-2-8-21(20)29(24)22-9-3-4-11-26(22)32-27-16-17(31)12-14-23(27)29/h1-16H
InChIKeyOVAXXDZQPHYLFZ-UHFFFAOYSA-N
MW495.80 g/mol
LogP8.72
Rot. Bonds

About 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]

4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene] (PubChem CID 163284705) has the molecular formula C29H16BrClO and a molecular weight of 495.80 g/mol. Its IUPAC name is 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene].

Molecular Properties

Compound Name4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
PubChem CID163284705
Molecular FormulaC29H16BrClO
Molecular Weight495.80 g/mol
Exact Mass494.01
IUPAC Name4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
SMILESClc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c1ccc1c(Br)cccc21
InChIInChI=1S/C29H16BrClO/c30-25-10-5-7-19-18(25)13-15-24-28(19)20-6-1-2-8-21(20)29(24)22-9-3-4-11-26(22)32-27-16-17(31)12-14-23(27)29/h1-16H
InChIKeyOVAXXDZQPHYLFZ-UHFFFAOYSA-N
XLogP8.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.80
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
CID 164550694
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,9'-xanthene]
CID 171743028
2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
CID 166844859
2'-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037300
spiro[hexacyclo[12.11.0.02,11.05,10.017,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),19,21,23-dodecaene-18,9'-xanthene]
CID 171742859
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
5-(6-chlorospiro[fluorene-9,9'-xanthene]-3-yl)quinoline
CID 146547389
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019
4-(1-chlorodibenzothiophen-4-yl)spiro[fluorene-9,9'-xanthene]
CID 166844661

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]?
The IUPAC name of 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene] (CID 163284705) is 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene].
What is the SMILES notation for 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]?
The canonical SMILES for 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene] is Clc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2c1ccc1c(Br)cccc21.
What is the InChIKey of 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]?
The InChIKey is OVAXXDZQPHYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16BrClO/c30-25-10-5-7-19-18(25)13-15-24-28(19)20-6-1-2-8-21(20)29(24)22-9-3-4-11-26(22)32-27-16-17(31)12-14-23(27)29/h1-16H.
What are the key properties of 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]?
4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene] has a molecular weight of 495.80 g/mol, XLogP of 8.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene] is sourced from PubChem (CID 163284705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).