2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]

C35H20BrClO — CID 168854083

IUPAC2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]
SMILESClc1cc2c(cc1-c1ccc3cc(Br)ccc3c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2
InChIInChI=1S/C35H20BrClO/c36-24-16-15-21-17-23(14-13-22(21)18-24)26-19-31-27(20-32(26)37)25-7-1-2-8-28(25)35(31)29-9-3-5-11-33(29)38-34-12-6-4-10-30(34)35/h1-20H
InChIKeySMPXHMGYEKJAGN-UHFFFAOYSA-N
MW571.90 g/mol
LogP10.39
Rot. Bonds1

About 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]

2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene] (PubChem CID 168854083) has the molecular formula C35H20BrClO and a molecular weight of 571.90 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]
PubChem CID168854083
Molecular FormulaC35H20BrClO
Molecular Weight571.90 g/mol
Exact Mass570.04
IUPAC Name2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]
SMILESClc1cc2c(cc1-c1ccc3cc(Br)ccc3c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2
InChIInChI=1S/C35H20BrClO/c36-24-16-15-21-17-23(14-13-22(21)18-24)26-19-31-27(20-32(26)37)25-7-1-2-8-28(25)35(31)29-9-3-5-11-33(29)38-34-12-6-4-10-30(34)35/h1-20H
InChIKeySMPXHMGYEKJAGN-UHFFFAOYSA-N
XLogP10.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.90
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2,4-diphenyl-6-spiro[benzo[b]fluorene-11,9'-xanthene]-8-yl-1,3,5-triazine
CID 163915981
2'-chloro-3'-phenylspiro[fluorene-9,9'-xanthene]
CID 166844508
2-bromo-4-chlorospiro[fluorene-9,9'-xanthene]
CID 166844859
14-(4-bromophenyl)spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-xanthene]
CID 146615710
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 129263263
2-bromospiro[fluorene-9,9'-xanthene];2,4-dinaphthalen-2-yl-6-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159887874
2,4-diphenyl-6-spiro[benzo[b]xanthene-12,9'-fluorene]-9-yl-1,3,5-triazine
CID 163941114
2-[4-(3,5-dichlorophenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 164783629
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene] (CID 168854083) is 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene] is Clc1cc2c(cc1-c1ccc3cc(Br)ccc3c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]?
The InChIKey is SMPXHMGYEKJAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20BrClO/c36-24-16-15-21-17-23(14-13-22(21)18-24)26-19-31-27(20-32(26)37)25-7-1-2-8-28(25)35(31)29-9-3-5-11-33(29)38-34-12-6-4-10-30(34)35/h1-20H.
What are the key properties of 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene]?
2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene] has a molecular weight of 571.90 g/mol, XLogP of 10.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-3-chlorospiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 168854083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).